4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol

C13H14FN3O — CID 136927532

IUPAC4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol
SMILESCCCc1cc(N)nc(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-2-3-9-7-12(15)17-13(16-9)8-4-5-11(18)10(14)6-8/h4-7,18H,2-3H2,1H3,(H2,15,16,17)
InChIKeyHPTCKWHUNFHUPT-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.52
Rot. Bonds3

About 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol

4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol (PubChem CID 136927532) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol
PubChem CID136927532
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol
SMILESCCCc1cc(N)nc(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-2-3-9-7-12(15)17-13(16-9)8-4-5-11(18)10(14)6-8/h4-7,18H,2-3H2,1H3,(H2,15,16,17)
InChIKeyHPTCKWHUNFHUPT-UHFFFAOYSA-N
XLogP2.52
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
CID 62203678
2-(furan-3-yl)-6-propylpyrimidin-4-amine
CID 63204623
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628
2-(2,6-dichlorophenyl)-6-propylpyrimidin-4-amine
CID 62202996
6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62202644
2-fluoro-4-(5-octylpyrimidin-2-yl)phenol
CID 135689415
4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol
CID 136813753
6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
CID 80945275
4-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136999024
6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 62190498
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol?
The IUPAC name of 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol (CID 136927532) is 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol.
What is the SMILES notation for 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol?
The canonical SMILES for 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol is CCCc1cc(N)nc(-c2ccc(O)c(F)c2)n1.
What is the InChIKey of 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol?
The InChIKey is HPTCKWHUNFHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-3-9-7-12(15)17-13(16-9)8-4-5-11(18)10(14)6-8/h4-7,18H,2-3H2,1H3,(H2,15,16,17).
What are the key properties of 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol?
4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol has a molecular weight of 247.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol is sourced from PubChem (CID 136927532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).