N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H14BrCl2N3 — CID 81280388

IUPACN-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C14H14BrCl2N3/c1-7(2)13-19-12(17)8(3)14(20-13)18-11-5-4-9(16)6-10(11)15/h4-7H,1-3H3,(H,18,19,20)
InChIKeyCGVLAKXXQQUAKB-UHFFFAOYSA-N
MW375.10 g/mol
LogP5.72
Rot. Bonds3

About N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 81280388) has the molecular formula C14H14BrCl2N3 and a molecular weight of 375.10 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID81280388
Molecular FormulaC14H14BrCl2N3
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC NameN-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C14H14BrCl2N3/c1-7(2)13-19-12(17)8(3)14(20-13)18-11-5-4-9(16)6-10(11)15/h4-7H,1-3H3,(H,18,19,20)
InChIKeyCGVLAKXXQQUAKB-UHFFFAOYSA-N
XLogP5.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.10
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107792299
N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 82766249
6-chloro-5-methyl-2-propan-2-yl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973856
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 104727798
6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758
4-chloro-3-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80970291
4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 81256059
2-N-(2-bromo-4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 81263123
6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83079114
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081
6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972906
6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine
CID 80978315

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 81280388) is N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CGVLAKXXQQUAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2N3/c1-7(2)13-19-12(17)8(3)14(20-13)18-11-5-4-9(16)6-10(11)15/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 375.10 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 81280388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).