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

C18H17N3 — CID 13126867

IUPACN-benzyl-4-methyl-6-phenylpyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-12-17(16-10-6-3-7-11-16)21-18(20-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyTWFBUYAHGQJCLR-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.06
Rot. Bonds4

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

N-benzyl-4-methyl-6-phenylpyrimidin-2-amine (PubChem CID 13126867) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-benzyl-4-methyl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-6-phenylpyrimidin-2-amine
PubChem CID13126867
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-benzyl-4-methyl-6-phenylpyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-12-17(16-10-6-3-7-11-16)21-18(20-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyTWFBUYAHGQJCLR-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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Related Compounds

N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 102536498
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932661
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
N-benzyl-4,6-dimethylpyridin-2-amine
CID 14593016
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-6-phenylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-methyl-6-phenylpyrimidin-2-amine (CID 13126867) is N-benzyl-4-methyl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-methyl-6-phenylpyrimidin-2-amine is Cc1cc(-c2ccccc2)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-methyl-6-phenylpyrimidin-2-amine?
The InChIKey is TWFBUYAHGQJCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-12-17(16-10-6-3-7-11-16)21-18(20-14)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-4-methyl-6-phenylpyrimidin-2-amine?
N-benzyl-4-methyl-6-phenylpyrimidin-2-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-4-methyl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 13126867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).