2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol

C14H14F2N2O — CID 116903072

IUPAC2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol
SMILESCCC(CO)c1nccc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H14F2N2O/c1-2-9(8-19)14-17-6-5-13(18-14)10-3-4-11(15)12(16)7-10/h3-7,9,19H,2,8H2,1H3
InChIKeyYLDKOPBPAKJPOZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.91
Rot. Bonds4

About 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol

2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol (PubChem CID 116903072) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol
PubChem CID116903072
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol
SMILESCCC(CO)c1nccc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H14F2N2O/c1-2-9(8-19)14-17-6-5-13(18-14)10-3-4-11(15)12(16)7-10/h3-7,9,19H,2,8H2,1H3
InChIKeyYLDKOPBPAKJPOZ-UHFFFAOYSA-N
XLogP2.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol?
The IUPAC name of 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol (CID 116903072) is 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol is CCC(CO)c1nccc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol?
The InChIKey is YLDKOPBPAKJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-2-9(8-19)14-17-6-5-13(18-14)10-3-4-11(15)12(16)7-10/h3-7,9,19H,2,8H2,1H3.
What are the key properties of 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol?
2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol has a molecular weight of 264.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol is sourced from PubChem (CID 116903072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).