N-benzyl-N,4,6-trimethylpyrimidin-2-amine

C14H17N3 — CID 734467

IUPACN-benzyl-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-11-9-12(2)16-14(15-11)17(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyAEJXLAYTOVFZRY-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.73
Rot. Bonds3

About N-benzyl-N,4,6-trimethylpyrimidin-2-amine

N-benzyl-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 734467) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-benzyl-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-N,4,6-trimethylpyrimidin-2-amine
PubChem CID734467
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-benzyl-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-11-9-12(2)16-14(15-11)17(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyAEJXLAYTOVFZRY-UHFFFAOYSA-N
XLogP2.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N,4,6-trimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
2-N-benzyl-4-N-[2-(dimethylamino)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112912774
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917161
2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917144
N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909437
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
2-N-benzyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917093

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-benzyl-N,4,6-trimethylpyrimidin-2-amine (CID 734467) is N-benzyl-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-N,4,6-trimethylpyrimidin-2-amine is Cc1cc(C)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is AEJXLAYTOVFZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-9-12(2)16-14(15-11)17(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3.
What are the key properties of N-benzyl-N,4,6-trimethylpyrimidin-2-amine?
N-benzyl-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 734467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).