2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine

C13H13Cl2N3 — CID 62483636

IUPAC2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2ccccc2Cl)nc(Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-8-7-12(18-13(15)16-8)17-9(2)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H,16,17,18)
InChIKeyKHUQSYHSTVAJFA-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.26
Rot. Bonds3

About 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine

2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 62483636) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
PubChem CID62483636
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2ccccc2Cl)nc(Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-8-7-12(18-13(15)16-8)17-9(2)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H,16,17,18)
InChIKeyKHUQSYHSTVAJFA-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114766018
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562389
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 53385561
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321032
N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133307821
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81375595
4-chloro-N-[1-(2-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine (CID 62483636) is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine is Cc1cc(NC(C)c2ccccc2Cl)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is KHUQSYHSTVAJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-8-7-12(18-13(15)16-8)17-9(2)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62483636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).