N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide

C17H22N6O — CID 172628291

IUPACN-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
SMILESNC1CCC(NC(=O)c2nc(-n3ccnc3)nc3c2CCC3)CC1
InChIInChI=1S/C17H22N6O/c18-11-4-6-12(7-5-11)20-16(24)15-13-2-1-3-14(13)21-17(22-15)23-9-8-19-10-23/h8-12H,1-7,18H2,(H,20,24)
InChIKeyLDCIBVGEEHIBIR-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.15
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide

N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide (PubChem CID 172628291) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
PubChem CID172628291
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
SMILESNC1CCC(NC(=O)c2nc(-n3ccnc3)nc3c2CCC3)CC1
InChIInChI=1S/C17H22N6O/c18-11-4-6-12(7-5-11)20-16(24)15-13-2-1-3-14(13)21-17(22-15)23-9-8-19-10-23/h8-12H,1-7,18H2,(H,20,24)
InChIKeyLDCIBVGEEHIBIR-UHFFFAOYSA-N
XLogP1.15
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide (CID 172628291) is N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide is NC1CCC(NC(=O)c2nc(-n3ccnc3)nc3c2CCC3)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
The InChIKey is LDCIBVGEEHIBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c18-11-4-6-12(7-5-11)20-16(24)15-13-2-1-3-14(13)21-17(22-15)23-9-8-19-10-23/h8-12H,1-7,18H2,(H,20,24).
What are the key properties of N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide is sourced from PubChem (CID 172628291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).