N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine

C18H17N3 — CID 3232698

IUPACN-benzyl-5-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1cncnc1NCc1ccccc1
InChIInChI=1S/C18H17N3/c1-14-7-5-6-10-16(14)17-12-19-13-21-18(17)20-11-15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3,(H,19,20,21)
InChIKeyOFZNZDGRLHCOSN-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.06
Rot. Bonds4

About N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine

N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 3232698) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-(2-methylphenyl)pyrimidin-4-amine
PubChem CID3232698
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-benzyl-5-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1cncnc1NCc1ccccc1
InChIInChI=1S/C18H17N3/c1-14-7-5-6-10-16(14)17-12-19-13-21-18(17)20-11-15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3,(H,19,20,21)
InChIKeyOFZNZDGRLHCOSN-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine (CID 3232698) is N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine is Cc1ccccc1-c1cncnc1NCc1ccccc1.
What is the InChIKey of N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is OFZNZDGRLHCOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-7-5-6-10-16(14)17-12-19-13-21-18(17)20-11-15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3,(H,19,20,21).
What are the key properties of N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine?
N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3232698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).