5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine

C15H16BrClFN3 — CID 66297874

IUPAC5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(Cl)c(F)c2)nc(NCC)c1Br
InChIInChI=1S/C15H16BrClFN3/c1-3-5-12-13(16)15(19-4-2)21-14(20-12)9-6-7-10(17)11(18)8-9/h6-8H,3-5H2,1-2H3,(H,19,20,21)
InChIKeyYBAIVIUTCZOLIW-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.08
Rot. Bonds5

About 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine

5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 66297874) has the molecular formula C15H16BrClFN3 and a molecular weight of 372.67 g/mol. Its IUPAC name is 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID66297874
Molecular FormulaC15H16BrClFN3
Molecular Weight372.67 g/mol
Exact Mass371.02
IUPAC Name5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(Cl)c(F)c2)nc(NCC)c1Br
InChIInChI=1S/C15H16BrClFN3/c1-3-5-12-13(16)15(19-4-2)21-14(20-12)9-6-7-10(17)11(18)8-9/h6-8H,3-5H2,1-2H3,(H,19,20,21)
InChIKeyYBAIVIUTCZOLIW-UHFFFAOYSA-N
XLogP5.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
CID 66311269
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 82800970
2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191212
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 106818393
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66296374
2-(4-chloro-3-fluorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472729
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 107281439
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine (CID 66297874) is 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(Cl)c(F)c2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is YBAIVIUTCZOLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClFN3/c1-3-5-12-13(16)15(19-4-2)21-14(20-12)9-6-7-10(17)11(18)8-9/h6-8H,3-5H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 372.67 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66297874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).