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

C15H18BrFN4 — CID 79713731

IUPAC5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(F)cn2)nc(C(C)C)c1Br
InChIInChI=1S/C15H18BrFN4/c1-4-7-18-15-12(16)13(9(2)3)20-14(21-15)11-6-5-10(17)8-19-11/h5-6,8-9H,4,7H2,1-3H3,(H,18,20,21)
InChIKeyZFBIVVIHMFTCMN-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.39
Rot. Bonds5

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

5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 79713731) has the molecular formula C15H18BrFN4 and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID79713731
Molecular FormulaC15H18BrFN4
Molecular Weight353.24 g/mol
Exact Mass352.07
IUPAC Name5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(F)cn2)nc(C(C)C)c1Br
InChIInChI=1S/C15H18BrFN4/c1-4-7-18-15-12(16)13(9(2)3)20-14(21-15)11-6-5-10(17)8-19-11/h5-6,8-9H,4,7H2,1-3H3,(H,18,20,21)
InChIKeyZFBIVVIHMFTCMN-UHFFFAOYSA-N
XLogP4.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-pyridinyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713717
5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66301103
5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298546
5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 81311702
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 107281456
5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297944
5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297751
5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297560
2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79718258
5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
CID 79717868
2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79717957
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 79713731) is 5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(F)cn2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is ZFBIVVIHMFTCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN4/c1-4-7-18-15-12(16)13(9(2)3)20-14(21-15)11-6-5-10(17)8-19-11/h5-6,8-9H,4,7H2,1-3H3,(H,18,20,21).
What are the key properties of 5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 353.24 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79713731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).