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

C16H17N5 — CID 45241917

IUPACN-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2nccn2Cc2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-13-7-8-18-16(20-13)19-11-15-17-9-10-21(15)12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19,20)
InChIKeyGUBCGGFNGOJUNT-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.64
Rot. Bonds5

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

N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine (PubChem CID 45241917) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
PubChem CID45241917
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2nccn2Cc2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-13-7-8-18-16(20-13)19-11-15-17-9-10-21(15)12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19,20)
InChIKeyGUBCGGFNGOJUNT-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.64
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]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine (CID 45241917) is N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCc2nccn2Cc2ccccc2)n1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine?
The InChIKey is GUBCGGFNGOJUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-13-7-8-18-16(20-13)19-11-15-17-9-10-21(15)12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19,20).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine?
N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine has a molecular weight of 279.35 g/mol, XLogP of 2.64, 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]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 45241917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).