2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol

C14H14F2N2O — CID 116895714

IUPAC2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol
SMILESCc1cc(-c2ccc(F)cc2F)nc(C(C)(C)O)n1
InChIInChI=1S/C14H14F2N2O/c1-8-6-12(18-13(17-8)14(2,3)19)10-5-4-9(15)7-11(10)16/h4-7,19H,1-3H3
InChIKeyOCCQCHHAGDOQPL-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.96
Rot. Bonds2

About 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol

2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol (PubChem CID 116895714) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol
PubChem CID116895714
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol
SMILESCc1cc(-c2ccc(F)cc2F)nc(C(C)(C)O)n1
InChIInChI=1S/C14H14F2N2O/c1-8-6-12(18-13(17-8)14(2,3)19)10-5-4-9(15)7-11(10)16/h4-7,19H,1-3H3
InChIKeyOCCQCHHAGDOQPL-UHFFFAOYSA-N
XLogP2.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol (CID 116895714) is 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol is Cc1cc(-c2ccc(F)cc2F)nc(C(C)(C)O)n1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
The InChIKey is OCCQCHHAGDOQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-8-6-12(18-13(17-8)14(2,3)19)10-5-4-9(15)7-11(10)16/h4-7,19H,1-3H3.
What are the key properties of 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol has a molecular weight of 264.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 116895714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).