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

C13H12Cl3N3 — CID 62481913

IUPAC6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl3N3/c1-7(10-4-3-9(14)5-11(10)15)17-13-6-12(16)18-8(2)19-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyVOQRTXJBYDRWED-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.92
Rot. Bonds3

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

6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 62481913) has the molecular formula C13H12Cl3N3 and a molecular weight of 316.62 g/mol. Its IUPAC name is 6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID62481913
Molecular FormulaC13H12Cl3N3
Molecular Weight316.62 g/mol
Exact Mass315.01
IUPAC Name6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl3N3/c1-7(10-4-3-9(14)5-11(10)15)17-13-6-12(16)18-8(2)19-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyVOQRTXJBYDRWED-UHFFFAOYSA-N
XLogP4.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.92
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
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 167565538
4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932264
N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61312514
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 63961093
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 164838647
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine (CID 62481913) is 6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NC(C)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is VOQRTXJBYDRWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3/c1-7(10-4-3-9(14)5-11(10)15)17-13-6-12(16)18-8(2)19-13/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 316.62 g/mol, XLogP of 4.92, 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-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 62481913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).