1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea

C102H108N44O13 — CID 159077926

IUPAC1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea
SMILESCCNC(=O)Nc1cn2cnc(-c3ccc(OC)nc3)cc2n1.CCNC(=O)Nc1cn2cnc(-c3cccnc3)cc2n1.CCNC(=O)Nc1cn2cnc(-c3cnc(N(C)C)nc3)cc2n1.CCNC(=O)Nc1cn2cnc(-c3cnc(OC)nc3)cc2n1.CCOC(=O)Nc1cn2cnc(-c3ccc(OC)nc3)cc2n1.CCOC(=O)Nc1cn2cnc(-c3cccnc3)cc2n1.CCOC(=O)Nc1cn2cnc(-c3cnc(N(C)C)nc3)cc2n1
InChIInChI=1S/C15H18N8O.C15H17N7O2.C15H16N6O2.C15H15N5O3.C14H15N7O2.C14H14N6O.C14H13N5O2/c1-4-16-15(24)21-12-8-23-9-19-11(5-13(23)20-12)10-6-17-14(18-7-10)22(2)3;1-4-24-15(23)20-12-8-22-9-18-11(5-13(22)19-12)10-6-16-14(17-7-10)21(2)3;1-3-16-15(22)20-12-8-21-9-18-11(6-13(21)19-12)10-4-5-14(23-2)17-7-10;1-3-23-15(21)19-12-8-20-9-17-11(6-13(20)18-12)10-4-5-14(22-2)16-7-10;1-3-15-13(22)20-11-7-21-8-18-10(4-12(21)19-11)9-5-16-14(23-2)17-6-9;1-2-16-14(21)19-12-8-20-9-17-11(6-13(20)18-12)10-4-3-5-15-7-10;1-2-21-14(20)18-12-8-19-9-16-11(6-13(19)17-12)10-4-3-5-15-7-10/h5-9H,4H2,1-3H3,(H2,16,21,24);5-9H,4H2,1-3H3,(H,20,23);4-9H,3H2,1-2H3,(H2,16,20,22);4-9H,3H2,1-2H3,(H,19,21);4-8H,3H2,1-2H3,(H2,15,20,22);3-9H,2H2,1H3,(H2,16,19,21);3-9H,2H2,1H3,(H,18,20)
InChIKeyKAMFOKNJNHEOIU-UHFFFAOYSA-N
MW2158.28 g/mol
LogP13.15
Rot. Bonds26

About 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea

1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea (PubChem CID 159077926) has the molecular formula C102H108N44O13 and a molecular weight of 2158.28 g/mol. Its IUPAC name is 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea
PubChem CID159077926
Molecular FormulaC102H108N44O13
Molecular Weight2158.28 g/mol
Exact Mass2156.91
IUPAC Name1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea
SMILESCCNC(=O)Nc1cn2cnc(-c3ccc(OC)nc3)cc2n1.CCNC(=O)Nc1cn2cnc(-c3cccnc3)cc2n1.CCNC(=O)Nc1cn2cnc(-c3cnc(N(C)C)nc3)cc2n1.CCNC(=O)Nc1cn2cnc(-c3cnc(OC)nc3)cc2n1.CCOC(=O)Nc1cn2cnc(-c3ccc(OC)nc3)cc2n1.CCOC(=O)Nc1cn2cnc(-c3cccnc3)cc2n1.CCOC(=O)Nc1cn2cnc(-c3cnc(N(C)C)nc3)cc2n1
InChIInChI=1S/C15H18N8O.C15H17N7O2.C15H16N6O2.C15H15N5O3.C14H15N7O2.C14H14N6O.C14H13N5O2/c1-4-16-15(24)21-12-8-23-9-19-11(5-13(23)20-12)10-6-17-14(18-7-10)22(2)3;1-4-24-15(23)20-12-8-22-9-18-11(5-13(22)19-12)10-6-16-14(17-7-10)21(2)3;1-3-16-15(22)20-12-8-21-9-18-11(6-13(21)19-12)10-4-5-14(23-2)17-7-10;1-3-23-15(21)19-12-8-20-9-17-11(6-13(20)18-12)10-4-5-14(22-2)16-7-10;1-3-15-13(22)20-11-7-21-8-18-10(4-12(21)19-11)9-5-16-14(23-2)17-6-9;1-2-16-14(21)19-12-8-20-9-17-11(6-13(20)18-12)10-4-3-5-15-7-10;1-2-21-14(20)18-12-8-19-9-16-11(6-13(19)17-12)10-4-3-5-15-7-10/h5-9H,4H2,1-3H3,(H2,16,21,24);5-9H,4H2,1-3H3,(H,20,23);4-9H,3H2,1-2H3,(H2,16,20,22);4-9H,3H2,1-2H3,(H,19,21);4-8H,3H2,1-2H3,(H2,15,20,22);3-9H,2H2,1H3,(H2,16,19,21);3-9H,2H2,1H3,(H,18,20)
InChIKeyKAMFOKNJNHEOIU-UHFFFAOYSA-N
XLogP13.15
TPSA653.91 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds26
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.28
LogP ≤ 513.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea?
The IUPAC name of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea (CID 159077926) is 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea.
What is the SMILES notation for 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea?
The canonical SMILES for 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea is CCNC(=O)Nc1cn2cnc(-c3ccc(OC)nc3)cc2n1.CCNC(=O)Nc1cn2cnc(-c3cccnc3)cc2n1.CCNC(=O)Nc1cn2cnc(-c3cnc(N(C)C)nc3)cc2n1.CCNC(=O)Nc1cn2cnc(-c3cnc(OC)nc3)cc2n1.CCOC(=O)Nc1cn2cnc(-c3ccc(OC)nc3)cc2n1.CCOC(=O)Nc1cn2cnc(-c3cccnc3)cc2n1.CCOC(=O)Nc1cn2cnc(-c3cnc(N(C)C)nc3)cc2n1.
What is the InChIKey of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea?
The InChIKey is KAMFOKNJNHEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O.C15H17N7O2.C15H16N6O2.C15H15N5O3.C14H15N7O2.C14H14N6O.C14H13N5O2/c1-4-16-15(24)21-12-8-23-9-19-11(5-13(23)20-12)10-6-17-14(18-7-10)22(2)3;1-4-24-15(23)20-12-8-22-9-18-11(5-13(22)19-12)10-6-16-14(17-7-10)21(2)3;1-3-16-15(22)20-12-8-21-9-18-11(6-13(21)19-12)10-4-5-14(23-2)17-7-10;1-3-23-15(21)19-12-8-20-9-17-11(6-13(20)18-12)10-4-5-14(22-2)16-7-10;1-3-15-13(22)20-11-7-21-8-18-10(4-12(21)19-11)9-5-16-14(23-2)17-6-9;1-2-16-14(21)19-12-8-20-9-17-11(6-13(20)18-12)10-4-3-5-15-7-10;1-2-21-14(20)18-12-8-19-9-16-11(6-13(19)17-12)10-4-3-5-15-7-10/h5-9H,4H2,1-3H3,(H2,16,21,24);5-9H,4H2,1-3H3,(H,20,23);4-9H,3H2,1-2H3,(H2,16,20,22);4-9H,3H2,1-2H3,(H,19,21);4-8H,3H2,1-2H3,(H2,15,20,22);3-9H,2H2,1H3,(H2,16,19,21);3-9H,2H2,1H3,(H,18,20).
What are the key properties of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea?
1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea has a molecular weight of 2158.28 g/mol, XLogP of 13.15, 26 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]-3-ethylurea;ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-c]pyrimidin-2-yl]carbamate;ethyl N-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]carbamate;1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]urea;1-ethyl-3-[7-(2-methoxypyrimidin-5-yl)imidazo[1,2-c]pyrimidin-2-yl]urea;ethyl N-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl)urea is sourced from PubChem (CID 159077926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).