6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine

C11H10Cl2N4 — CID 66251442

IUPAC6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1cccc(Cl)c1Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H10Cl2N4/c1-6-3-2-4-7(12)9(6)17-11-8(14)10(13)15-5-16-11/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyXTYHHWRUPLUGTG-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.42
Rot. Bonds2

About 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine

6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 66251442) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine
PubChem CID66251442
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1cccc(Cl)c1Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H10Cl2N4/c1-6-3-2-4-7(12)9(6)17-11-8(14)10(13)15-5-16-11/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyXTYHHWRUPLUGTG-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine
CID 86022400
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
CID 63022392
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
6-chloro-4-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-4,5-diamine
CID 115564038
6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 23477635
5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049862
2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312
6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 66256721
6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 66255009
4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
CID 143942387
5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine
CID 66252796

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine (CID 66251442) is 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine is Cc1cccc(Cl)c1Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is XTYHHWRUPLUGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-6-3-2-4-7(12)9(6)17-11-8(14)10(13)15-5-16-11/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 269.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 66251442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).