N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine

C16H16ClN5 — CID 133324117

IUPACN-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2nccn2Cc2ccccc2)n1
InChIInChI=1S/C16H16ClN5/c1-12-20-14(17)9-15(21-12)19-10-16-18-7-8-22(16)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20,21)
InChIKeyIAZUNTYFPLYADQ-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.30
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine

N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 133324117) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine
PubChem CID133324117
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2nccn2Cc2ccccc2)n1
InChIInChI=1S/C16H16ClN5/c1-12-20-14(17)9-15(21-12)19-10-16-18-7-8-22(16)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20,21)
InChIKeyIAZUNTYFPLYADQ-UHFFFAOYSA-N
XLogP3.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine (CID 133324117) is N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NCc2nccn2Cc2ccccc2)n1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is IAZUNTYFPLYADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-12-20-14(17)9-15(21-12)19-10-16-18-7-8-22(16)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20,21).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine?
N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 313.79 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133324117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).