1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine

C16H23N5 — CID 106564203

IUPAC1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(NCc2ccnc(C)n2)n1
InChIInChI=1S/C16H23N5/c1-12-11-21(15-6-4-3-5-7-15)16(19-12)18-10-14-8-9-17-13(2)20-14/h8-9,11,15H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyFQNWFRIXUXXEKD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.41
Rot. Bonds4

About 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine

1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine (PubChem CID 106564203) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine
PubChem CID106564203
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(NCc2ccnc(C)n2)n1
InChIInChI=1S/C16H23N5/c1-12-11-21(15-6-4-3-5-7-15)16(19-12)18-10-14-8-9-17-13(2)20-14/h8-9,11,15H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyFQNWFRIXUXXEKD-UHFFFAOYSA-N
XLogP3.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine (CID 106564203) is 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine is Cc1cn(C2CCCCC2)c(NCc2ccnc(C)n2)n1.
What is the InChIKey of 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine?
The InChIKey is FQNWFRIXUXXEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-11-21(15-6-4-3-5-7-15)16(19-12)18-10-14-8-9-17-13(2)20-14/h8-9,11,15H,3-7,10H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine?
1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106564203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).