5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine

C13H15ClN4 — CID 80801728

IUPAC5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ccccc1C(C)Nc1nc(N)ncc1Cl
InChIInChI=1S/C13H15ClN4/c1-8-5-3-4-6-10(8)9(2)17-12-11(14)7-16-13(15)18-12/h3-7,9H,1-2H3,(H3,15,16,17,18)
InChIKeyRGNKKQOYFNFOBC-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.19
Rot. Bonds3

About 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine

5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80801728) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80801728
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ccccc1C(C)Nc1nc(N)ncc1Cl
InChIInChI=1S/C13H15ClN4/c1-8-5-3-4-6-10(8)9(2)17-12-11(14)7-16-13(15)18-12/h3-7,9H,1-2H3,(H3,15,16,17,18)
InChIKeyRGNKKQOYFNFOBC-UHFFFAOYSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-[1-(2-methylphenyl)ethyl]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

5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
5-bromo-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801571
5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 96542363
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802259
5-chloro-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801155
5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781987
5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80760078
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
3,6-dimethyl-N-[1-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 60703972
6-methyl-2-N-[1-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 81132205
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729650

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine (CID 80801728) is 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine is Cc1ccccc1C(C)Nc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is RGNKKQOYFNFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8-5-3-4-6-10(8)9(2)17-12-11(14)7-16-13(15)18-12/h3-7,9H,1-2H3,(H3,15,16,17,18).
What are the key properties of 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80801728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).