6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

C14H17ClN4 — CID 3045378

IUPAC6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(Cl)nc(N(C)C)n2)c1C
InChIInChI=1S/C14H17ClN4/c1-9-6-5-7-11(10(9)2)16-13-8-12(15)17-14(18-13)19(3)4/h5-8H,1-4H3,(H,16,17,18)
InChIKeyGMMWNTHAIOJBSD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.56
Rot. Bonds3

About 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 3045378) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID3045378
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(Cl)nc(N(C)C)n2)c1C
InChIInChI=1S/C14H17ClN4/c1-9-6-5-7-11(10(9)2)16-13-8-12(15)17-14(18-13)19(3)4/h5-8H,1-4H3,(H,16,17,18)
InChIKeyGMMWNTHAIOJBSD-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 3045378) is 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is Cc1cccc(Nc2cc(Cl)nc(N(C)C)n2)c1C.
What is the InChIKey of 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is GMMWNTHAIOJBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-6-5-7-11(10(9)2)16-13-8-12(15)17-14(18-13)19(3)4/h5-8H,1-4H3,(H,16,17,18).
What are the key properties of 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 3045378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).