2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine

C14H17ClN4 — CID 162766744

IUPAC2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)ncc1CNc1c(C)cccc1C
InChIInChI=1S/C14H17ClN4/c1-9-5-4-6-10(2)12(9)17-7-11-8-18-14(15)19-13(11)16-3/h4-6,8,17H,7H2,1-3H3,(H,16,18,19)
InChIKeyZYUBYSGWJXCCAQ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.40
Rot. Bonds4

About 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine

2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine (PubChem CID 162766744) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine
PubChem CID162766744
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)ncc1CNc1c(C)cccc1C
InChIInChI=1S/C14H17ClN4/c1-9-5-4-6-10(2)12(9)17-7-11-8-18-14(15)19-13(11)16-3/h4-6,8,17H,7H2,1-3H3,(H,16,18,19)
InChIKeyZYUBYSGWJXCCAQ-UHFFFAOYSA-N
XLogP3.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine 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

2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 166590518
N-[(2,4-dimethylpyrimidin-5-yl)methyl]-2,6-dimethylaniline
CID 160673167
2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 79073311
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
tert-butyl (3R)-3-[[2-chloro-5-[(2-fluoro-6-methylanilino)methyl]pyrimidin-4-yl]amino]azepane-1-carboxylate
CID 175845529
2-chloro-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 106196949
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 79073678
N-benzyl-2-chloro-5-ethylpyrimidin-4-amine
CID 122630775
2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 79073279
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylaniline
CID 83089565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine (CID 162766744) is 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine is CNc1nc(Cl)ncc1CNc1c(C)cccc1C.
What is the InChIKey of 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is ZYUBYSGWJXCCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-5-4-6-10(2)12(9)17-7-11-8-18-14(15)19-13(11)16-3/h4-6,8,17H,7H2,1-3H3,(H,16,18,19).
What are the key properties of 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine?
2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 162766744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).