4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine

C13H17F2N3O — CID 126444168

IUPAC4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine
SMILESFC1(F)CCN(c2cc([C@H]3CCOC3)ncn2)CC1
InChIInChI=1S/C13H17F2N3O/c14-13(15)2-4-18(5-3-13)12-7-11(16-9-17-12)10-1-6-19-8-10/h7,9-10H,1-6,8H2/t10-/m0/s1
InChIKeyWXSZYVDJZZQSCI-JTQLQIEISA-N
MW269.29 g/mol
LogP2.22
Rot. Bonds2

About 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine

4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine (PubChem CID 126444168) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine
PubChem CID126444168
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine
SMILESFC1(F)CCN(c2cc([C@H]3CCOC3)ncn2)CC1
InChIInChI=1S/C13H17F2N3O/c14-13(15)2-4-18(5-3-13)12-7-11(16-9-17-12)10-1-6-19-8-10/h7,9-10H,1-6,8H2/t10-/m0/s1
InChIKeyWXSZYVDJZZQSCI-JTQLQIEISA-N
XLogP2.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine (CID 126444168) is 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine is FC1(F)CCN(c2cc([C@H]3CCOC3)ncn2)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine?
The InChIKey is WXSZYVDJZZQSCI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F2N3O/c14-13(15)2-4-18(5-3-13)12-7-11(16-9-17-12)10-1-6-19-8-10/h7,9-10H,1-6,8H2/t10-/m0/s1.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine?
4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine has a molecular weight of 269.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine is sourced from PubChem (CID 126444168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).