6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine

C11H10Cl2N4 — CID 86022400

IUPAC6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1cc(Nc2ncnc(Cl)c2N)ccc1Cl
InChIInChI=1S/C11H10Cl2N4/c1-6-4-7(2-3-8(6)12)17-11-9(14)10(13)15-5-16-11/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyPWQFWUWNEZNHLI-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.42
Rot. Bonds2

About 6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine

6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 86022400) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine
PubChem CID86022400
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1cc(Nc2ncnc(Cl)c2N)ccc1Cl
InChIInChI=1S/C11H10Cl2N4/c1-6-4-7(2-3-8(6)12)17-11-9(14)10(13)15-5-16-11/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyPWQFWUWNEZNHLI-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

4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
CID 143942387
6-chloro-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477599
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
6-chloro-4-N-(4-methylsulfonylphenyl)pyrimidine-4,5-diamine
CID 55144269
6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine
CID 66251442
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 60726133
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
4-N-(4-chloro-2-methylphenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546140
6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22546640
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine (CID 86022400) is 6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine is Cc1cc(Nc2ncnc(Cl)c2N)ccc1Cl.
What is the InChIKey of 6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is PWQFWUWNEZNHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-6-4-7(2-3-8(6)12)17-11-9(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-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(4-chloro-3-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-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 86022400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).