6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine

C13H12Cl3N3 — CID 80947983

IUPAC6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl3N3/c1-7(2)13-18-11(16)6-12(19-13)17-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H,17,18,19)
InChIKeyYHPCWNHPJDTZEI-UHFFFAOYSA-N
MW316.62 g/mol
LogP5.30
Rot. Bonds3

About 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80947983) has the molecular formula C13H12Cl3N3 and a molecular weight of 316.62 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80947983
Molecular FormulaC13H12Cl3N3
Molecular Weight316.62 g/mol
Exact Mass315.01
IUPAC Name6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl3N3/c1-7(2)13-18-11(16)6-12(19-13)17-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H,17,18,19)
InChIKeyYHPCWNHPJDTZEI-UHFFFAOYSA-N
XLogP5.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.62
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80948781
6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80949167
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953244
6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951424
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953300
4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107639116
N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 104780296
N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968585
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80759587
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80956479
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine (CID 80947983) is 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YHPCWNHPJDTZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3/c1-7(2)13-18-11(16)6-12(19-13)17-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 316.62 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80947983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).