4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine

C18H17ClN4 — CID 112859491

IUPAC4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCN(Cc1ccccc1)c1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C18H17ClN4/c1-23(12-14-6-3-2-4-7-14)18-11-17(20-13-21-18)22-16-9-5-8-15(19)10-16/h2-11,13H,12H2,1H3,(H,20,21,22)
InChIKeyJTCOGLKMASIXFT-UHFFFAOYSA-N
MW324.82 g/mol
LogP4.51
Rot. Bonds5

About 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine

4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 112859491) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID112859491
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCN(Cc1ccccc1)c1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C18H17ClN4/c1-23(12-14-6-3-2-4-7-14)18-11-17(20-13-21-18)22-16-9-5-8-15(19)10-16/h2-11,13H,12H2,1H3,(H,20,21,22)
InChIKeyJTCOGLKMASIXFT-UHFFFAOYSA-N
XLogP4.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-6-N-(3-bromophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859531
4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859467
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
4-N-benzyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859540
4-N-benzyl-4-N-methyl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112859512
N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
CID 115416604
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
1-[3-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112860525
N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
CID 109156379
2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 112891064
4-N-benzyl-6-N-(3-chloro-4-fluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872245

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine (CID 112859491) is 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine is CN(Cc1ccccc1)c1cc(Nc2cccc(Cl)c2)ncn1.
What is the InChIKey of 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is JTCOGLKMASIXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-23(12-14-6-3-2-4-7-14)18-11-17(20-13-21-18)22-16-9-5-8-15(19)10-16/h2-11,13H,12H2,1H3,(H,20,21,22).
What are the key properties of 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 324.82 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112859491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).