2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

C13H16N4 — CID 80777641

IUPAC2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCc2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-14-13-16-10-8-12(17-13)15-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H2,14,15,16,17)
InChIKeyRAKJZFPOTLCNFU-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.17
Rot. Bonds5

About 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 80777641) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID80777641
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCc2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-14-13-16-10-8-12(17-13)15-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H2,14,15,16,17)
InChIKeyRAKJZFPOTLCNFU-UHFFFAOYSA-N
XLogP2.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine 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

4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
2-N-(2,6-dimethylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112893984
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882168
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894006
2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899162
2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 80790250
2-N-isoquinolin-1-yl-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 117083919
2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112894129
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 80777641) is 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is CNc1nccc(NCCc2ccccc2)n1.
What is the InChIKey of 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is RAKJZFPOTLCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-14-13-16-10-8-12(17-13)15-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80777641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).