5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

C21H27N7O — CID 44589051

IUPAC5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCc1cc(C)cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1
InChIInChI=1S/C21H27N7O/c1-12-9-13(2)11-14(10-12)25-19-17(18(23)29)20-24-7-8-28(20)21(27-19)26-16-6-4-3-5-15(16)22/h7-11,15-16,25H,3-6,22H2,1-2H3,(H2,23,29)(H,26,27)/t15-,16+/m1/s1
InChIKeyXAZBDQHARDGYFI-CVEARBPZSA-N
MW393.50 g/mol
LogP2.87
Rot. Bonds5

About 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 44589051) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID44589051
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCc1cc(C)cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1
InChIInChI=1S/C21H27N7O/c1-12-9-13(2)11-14(10-12)25-19-17(18(23)29)20-24-7-8-28(20)21(27-19)26-16-6-4-3-5-15(16)22/h7-11,15-16,25H,3-6,22H2,1-2H3,(H2,23,29)(H,26,27)/t15-,16+/m1/s1
InChIKeyXAZBDQHARDGYFI-CVEARBPZSA-N
XLogP2.87
TPSA123.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 44589051) is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is Cc1cc(C)cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1.
What is the InChIKey of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is XAZBDQHARDGYFI-CVEARBPZSA-N. The full InChI is InChI=1S/C21H27N7O/c1-12-9-13(2)11-14(10-12)25-19-17(18(23)29)20-24-7-8-28(20)21(27-19)26-16-6-4-3-5-15(16)22/h7-11,15-16,25H,3-6,22H2,1-2H3,(H2,23,29)(H,26,27)/t15-,16+/m1/s1.
What are the key properties of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 393.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 44589051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).