2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C16H19BrFN3 — CID 66424690

IUPAC2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(-c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C16H19BrFN3/c1-4-5-19-15-9-14(10(2)3)20-16(21-15)11-6-12(17)8-13(18)7-11/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyLSZMLZBSBHHFFY-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.99
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66424690) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66424690
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(-c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C16H19BrFN3/c1-4-5-19-15-9-14(10(2)3)20-16(21-15)11-6-12(17)8-13(18)7-11/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyLSZMLZBSBHHFFY-UHFFFAOYSA-N
XLogP4.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
AS1269574
CID 5332859
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
N-(4-bromobenzyl)-6-methylpyridin-2-amine
CID 975979
N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylpyrimidin-2-amine
CID 9892513
4-[2-[[2-(4-Bromo-2,5-difluorophenyl)-6-methyl-4-pyrimidinyl]amino]ethyl]-2(1H)-pyridinone
CID 10319993
(2-Bromo-4-butyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
CID 10666336
(2-Bromo-4-isopropyl-phenyl)-(4,6-diethyl-pyrimidin-2-yl)-ethyl-amine
CID 10667231
(2-Bromo-4-isopropyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
CID 10831554
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-methylamino-phenyl)-pyrimidin-2-yl]-amine
CID 15490819

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66424690) is 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(-c2cc(F)cc(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is LSZMLZBSBHHFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-4-5-19-15-9-14(10(2)3)20-16(21-15)11-6-12(17)8-13(18)7-11/h6-10H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 352.25 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66424690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).