6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine

C15H19ClN4 — CID 112863489

IUPAC6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cccc(Cl)c2C)ncn1
InChIInChI=1S/C15H19ClN4/c1-4-20(5-2)15-9-14(17-10-18-15)19-13-8-6-7-12(16)11(13)3/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyUDDJEXNGHVHUDX-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.03
Rot. Bonds5

About 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine

6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine (PubChem CID 112863489) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
PubChem CID112863489
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cccc(Cl)c2C)ncn1
InChIInChI=1S/C15H19ClN4/c1-4-20(5-2)15-9-14(17-10-18-15)19-13-8-6-7-12(16)11(13)3/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyUDDJEXNGHVHUDX-UHFFFAOYSA-N
XLogP4.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-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-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112864498
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863482
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855366
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863554
ethyl 2-[[6-(diethylamino)pyrimidin-4-yl]amino]benzoate
CID 112863557
4-N-benzyl-6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860547
N-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340116
4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860538
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872
4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112863500

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine (CID 112863489) is 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine is CCN(CC)c1cc(Nc2cccc(Cl)c2C)ncn1.
What is the InChIKey of 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The InChIKey is UDDJEXNGHVHUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-4-20(5-2)15-9-14(17-10-18-15)19-13-8-6-7-12(16)11(13)3/h6-10H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112863489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).