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

C13H13Cl2N3 — CID 55080193

IUPAC6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-8(10-5-3-4-6-11(10)14)16-13-7-12(15)17-9(2)18-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyQTPZIKBMFOEXFB-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.26
Rot. Bonds3

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

6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 55080193) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID55080193
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-8(10-5-3-4-6-11(10)14)16-13-7-12(15)17-9(2)18-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyQTPZIKBMFOEXFB-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-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62483636
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-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83268375
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine
CID 103705061
6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946658
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine (CID 55080193) is 6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NC(C)c2ccccc2Cl)n1.
What is the InChIKey of 6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is QTPZIKBMFOEXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-8(10-5-3-4-6-11(10)14)16-13-7-12(15)17-9(2)18-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-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 6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 55080193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).