2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine

C12H11Cl2N3 — CID 79075964

IUPAC2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1cccc(Cl)c1C
InChIInChI=1S/C12H11Cl2N3/c1-7-6-15-12(14)17-11(7)16-10-5-3-4-9(13)8(10)2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyIJCGTAYMPJZPJR-UHFFFAOYSA-N
MW268.15 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine

2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 79075964) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID79075964
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1cccc(Cl)c1C
InChIInChI=1S/C12H11Cl2N3/c1-7-6-15-12(14)17-11(7)16-10-5-3-4-9(13)8(10)2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyIJCGTAYMPJZPJR-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214079
N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412586
2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
CID 159278230
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 103586890
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine (CID 79075964) is 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine is Cc1cnc(Cl)nc1Nc1cccc(Cl)c1C.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is IJCGTAYMPJZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-7-6-15-12(14)17-11(7)16-10-5-3-4-9(13)8(10)2/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine?
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 268.15 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79075964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).