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

C13H19N7O — CID 129159965

IUPAC7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESNC(=O)c1c(N)nc(N[C@@H]2CCCC[C@@H]2N)n2ccnc12
InChIInChI=1S/C13H19N7O/c14-7-3-1-2-4-8(7)18-13-19-10(15)9(11(16)21)12-17-5-6-20(12)13/h5-8H,1-4,14-15H2,(H2,16,21)(H,18,19)/t7-,8+/m0/s1
InChIKeyUGAWHEIDHPLPCH-JGVFFNPUSA-N
MW289.34 g/mol
LogP0.09
Rot. Bonds3

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

7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 129159965) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID129159965
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESNC(=O)c1c(N)nc(N[C@@H]2CCCC[C@@H]2N)n2ccnc12
InChIInChI=1S/C13H19N7O/c14-7-3-1-2-4-8(7)18-13-19-10(15)9(11(16)21)12-17-5-6-20(12)13/h5-8H,1-4,14-15H2,(H2,16,21)(H,18,19)/t7-,8+/m0/s1
InChIKeyUGAWHEIDHPLPCH-JGVFFNPUSA-N
XLogP0.09
TPSA137.35 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 129159965) is 7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide is NC(=O)c1c(N)nc(N[C@@H]2CCCC[C@@H]2N)n2ccnc12.
What is the InChIKey of 7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is UGAWHEIDHPLPCH-JGVFFNPUSA-N. The full InChI is InChI=1S/C13H19N7O/c14-7-3-1-2-4-8(7)18-13-19-10(15)9(11(16)21)12-17-5-6-20(12)13/h5-8H,1-4,14-15H2,(H2,16,21)(H,18,19)/t7-,8+/m0/s1.
What are the key properties of 7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide?
7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[[(1R,2S)-2-aminocyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 129159965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).