N-benzyl-2-methyl-6-phenylpyrimidin-4-amine

C18H17N3 — CID 16957885

IUPACN-benzyl-2-methyl-6-phenylpyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-20-17(16-10-6-3-7-11-16)12-18(21-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyDMJAYKUPWVPIQG-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.06
Rot. Bonds4

About N-benzyl-2-methyl-6-phenylpyrimidin-4-amine

N-benzyl-2-methyl-6-phenylpyrimidin-4-amine (PubChem CID 16957885) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-benzyl-2-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-6-phenylpyrimidin-4-amine
PubChem CID16957885
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-benzyl-2-methyl-6-phenylpyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-20-17(16-10-6-3-7-11-16)12-18(21-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyDMJAYKUPWVPIQG-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-2-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-methyl-6-phenylpyrimidin-4-amine (CID 16957885) is N-benzyl-2-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-methyl-6-phenylpyrimidin-4-amine is Cc1nc(NCc2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-benzyl-2-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is DMJAYKUPWVPIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-20-17(16-10-6-3-7-11-16)12-18(21-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20,21).
What are the key properties of N-benzyl-2-methyl-6-phenylpyrimidin-4-amine?
N-benzyl-2-methyl-6-phenylpyrimidin-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-2-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 16957885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).