2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile

C12H8Cl2N4 — CID 110383586

IUPAC2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H8Cl2N4/c1-7-5-8(6-15)17-12(16-7)18-10-4-2-3-9(13)11(10)14/h2-5H,1H3,(H,16,17,18)
InChIKeyNADOITAHNLUAIH-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.71
Rot. Bonds2

About 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile

2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 110383586) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile
PubChem CID110383586
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H8Cl2N4/c1-7-5-8(6-15)17-12(16-7)18-10-4-2-3-9(13)11(10)14/h2-5H,1H3,(H,16,17,18)
InChIKeyNADOITAHNLUAIH-UHFFFAOYSA-N
XLogP3.71
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile 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-(2-bromo-3-chloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 107545453
4-[[4-(2,3-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932246
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile
CID 110383544
2-(2-bromo-4-chloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544921
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383536
methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]benzoate
CID 110383551
methyl 4-chloro-3-[(4-cyano-6-methylpyrimidin-2-yl)amino]benzoate
CID 110383554
2-(2,4-dibromoanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543940
2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907868
2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383534
4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931912

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile (CID 110383586) is 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is NADOITAHNLUAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c1-7-5-8(6-15)17-12(16-7)18-10-4-2-3-9(13)11(10)14/h2-5H,1H3,(H,16,17,18).
What are the key properties of 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile?
2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 279.13 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 110383586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).