[1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol

C14H13FN2O — CID 116902504

IUPAC[1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol
SMILESOCC1(c2nccc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C14H13FN2O/c15-11-3-1-2-10(8-11)12-4-7-16-13(17-12)14(9-18)5-6-14/h1-4,7-8,18H,5-6,9H2
InChIKeyBARWVPLORRAUJI-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.31
Rot. Bonds3

About [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol

[1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol (PubChem CID 116902504) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol
PubChem CID116902504
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name[1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol
SMILESOCC1(c2nccc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C14H13FN2O/c15-11-3-1-2-10(8-11)12-4-7-16-13(17-12)14(9-18)5-6-14/h1-4,7-8,18H,5-6,9H2
InChIKeyBARWVPLORRAUJI-UHFFFAOYSA-N
XLogP2.31
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol
CID 116902791
2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol
CID 116902199
4-(3-fluorophenyl)pyrimidine-2-carbaldehyde
CID 116900284
[1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol
CID 116902796
2-[2-(3-fluorophenyl)-4-pyridinyl]ethanol
CID 117001633
[1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol
CID 116891056
3-[4-(3-fluorophenyl)pyrimidin-2-yl]propanenitrile
CID 116901153
1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine
CID 116903584
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
[2,5-bis(3-fluorophenyl)-4-pyridinyl]methanol
CID 131870607
[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882683
3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901814

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol?
The IUPAC name of [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol (CID 116902504) is [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol is OCC1(c2nccc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol?
The InChIKey is BARWVPLORRAUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-11-3-1-2-10(8-11)12-4-7-16-13(17-12)14(9-18)5-6-14/h1-4,7-8,18H,5-6,9H2.
What are the key properties of [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol?
[1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol has a molecular weight of 244.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 116902504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).