4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine

C13H15ClN4 — CID 80801638

IUPAC4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4/c1-8-7-16-13(15)18-12(8)17-9(2)10-4-3-5-11(14)6-10/h3-7,9H,1-2H3,(H3,15,16,17,18)
InChIKeyXUPPRMRUNSITAZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.19
Rot. Bonds3

About 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine

4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 80801638) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID80801638
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4/c1-8-7-16-13(15)18-12(8)17-9(2)10-4-3-5-11(14)6-10/h3-7,9H,1-2H3,(H3,15,16,17,18)
InChIKeyXUPPRMRUNSITAZ-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 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-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-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801900
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine
CID 106566722
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine
CID 60870788
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 146673450
4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 54964841

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (CID 80801638) is 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1NC(C)c1cccc(Cl)c1.
What is the InChIKey of 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is XUPPRMRUNSITAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8-7-16-13(15)18-12(8)17-9(2)10-4-3-5-11(14)6-10/h3-7,9H,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-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 4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80801638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).