2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine

C12H11Cl2N3 — CID 119091043

IUPAC2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine
SMILESCc1ccccc1N(C)c1cnc(Cl)nc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-8-5-3-4-6-9(8)17(2)10-7-15-12(14)16-11(10)13/h3-7H,1-2H3
InChIKeyCYGSQMKWWFAVTP-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.86
Rot. Bonds2

About 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine

2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine (PubChem CID 119091043) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine
PubChem CID119091043
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine
SMILESCc1ccccc1N(C)c1cnc(Cl)nc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-8-5-3-4-6-9(8)17(2)10-7-15-12(14)16-11(10)13/h3-7H,1-2H3
InChIKeyCYGSQMKWWFAVTP-UHFFFAOYSA-N
XLogP3.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine?
The IUPAC name of 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine (CID 119091043) is 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine?
The canonical SMILES for 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine is Cc1ccccc1N(C)c1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine?
The InChIKey is CYGSQMKWWFAVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-8-5-3-4-6-9(8)17(2)10-7-15-12(14)16-11(10)13/h3-7H,1-2H3.
What are the key properties of 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine?
2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine has a molecular weight of 268.15 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-(2-methylphenyl)pyrimidin-5-amine is sourced from PubChem (CID 119091043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).