1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea

C23H34N8O2S — CID 11190963

IUPAC1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
SMILESCCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(N(CC)CCN(C)C)n3)s2)o1
InChIInChI=1S/C23H34N8O2S/c1-7-17-14-25-19(33-17)9-10-24-22(32)29-23-27-16(4)20(34-23)18-13-15(3)26-21(28-18)31(8-2)12-11-30(5)6/h13-14H,7-12H2,1-6H3,(H2,24,27,29,32)
InChIKeyQJOCMLPQVDRBOI-UHFFFAOYSA-N
MW486.65 g/mol
LogP3.52
Rot. Bonds11

About 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea

1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea (PubChem CID 11190963) has the molecular formula C23H34N8O2S and a molecular weight of 486.65 g/mol. Its IUPAC name is 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
PubChem CID11190963
Molecular FormulaC23H34N8O2S
Molecular Weight486.65 g/mol
Exact Mass486.25
IUPAC Name1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
SMILESCCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(N(CC)CCN(C)C)n3)s2)o1
InChIInChI=1S/C23H34N8O2S/c1-7-17-14-25-19(33-17)9-10-24-22(32)29-23-27-16(4)20(34-23)18-13-15(3)26-21(28-18)31(8-2)12-11-30(5)6/h13-14H,7-12H2,1-6H3,(H2,24,27,29,32)
InChIKeyQJOCMLPQVDRBOI-UHFFFAOYSA-N
XLogP3.52
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.65
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea?
The IUPAC name of 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea (CID 11190963) is 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea is CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(N(CC)CCN(C)C)n3)s2)o1.
What is the InChIKey of 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea?
The InChIKey is QJOCMLPQVDRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8O2S/c1-7-17-14-25-19(33-17)9-10-24-22(32)29-23-27-16(4)20(34-23)18-13-15(3)26-21(28-18)31(8-2)12-11-30(5)6/h13-14H,7-12H2,1-6H3,(H2,24,27,29,32).
What are the key properties of 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea?
1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea has a molecular weight of 486.65 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[2-(dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea is sourced from PubChem (CID 11190963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).