N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide

C16H24N6O — CID 938501

IUPACN-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide
SMILESCc1cc(C)nc(NC2=NCCN2C(=O)NC2CCCCC2)n1
InChIInChI=1S/C16H24N6O/c1-11-10-12(2)19-14(18-11)21-15-17-8-9-22(15)16(23)20-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,20,23)(H,17,18,19,21)
InChIKeyUPZPIKFFPCFPSR-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.22
Rot. Bonds2

About N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide

N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide (PubChem CID 938501) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide
PubChem CID938501
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide
SMILESCc1cc(C)nc(NC2=NCCN2C(=O)NC2CCCCC2)n1
InChIInChI=1S/C16H24N6O/c1-11-10-12(2)19-14(18-11)21-15-17-8-9-22(15)16(23)20-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,20,23)(H,17,18,19,21)
InChIKeyUPZPIKFFPCFPSR-UHFFFAOYSA-N
XLogP2.22
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide (CID 938501) is N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide is Cc1cc(C)nc(NC2=NCCN2C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is UPZPIKFFPCFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-10-12(2)19-14(18-11)21-15-17-8-9-22(15)16(23)20-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,20,23)(H,17,18,19,21).
What are the key properties of N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide?
N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 938501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).