2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C16H19BrClN3 — CID 66158959

IUPAC2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(-c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C16H19BrClN3/c1-4-7-19-15-9-14(10(2)3)20-16(21-15)12-8-11(18)5-6-13(12)17/h5-6,8-10H,4,7H2,1-3H3,(H,19,20,21)
InChIKeyFTMAHODBUGXTMF-UHFFFAOYSA-N
MW368.71 g/mol
LogP5.50
Rot. Bonds5

About 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66158959) has the molecular formula C16H19BrClN3 and a molecular weight of 368.71 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66158959
Molecular FormulaC16H19BrClN3
Molecular Weight368.71 g/mol
Exact Mass367.05
IUPAC Name2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(-c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C16H19BrClN3/c1-4-7-19-15-9-14(10(2)3)20-16(21-15)12-8-11(18)5-6-13(12)17/h5-6,8-10H,4,7H2,1-3H3,(H,19,20,21)
InChIKeyFTMAHODBUGXTMF-UHFFFAOYSA-N
XLogP5.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66158760
2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63480501
2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79427543
2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66424690
2-N,2-N-diethyl-6-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 62190765
2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 103083750
2-(2-methylcyclopropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65419575
2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 66160131
5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480185
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256620
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66158959) is 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(-c2cc(Cl)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is FTMAHODBUGXTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3/c1-4-7-19-15-9-14(10(2)3)20-16(21-15)12-8-11(18)5-6-13(12)17/h5-6,8-10H,4,7H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 368.71 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66158959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).