4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine

C14H19F2N3 — CID 166602994

IUPAC4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)C1CCN(c2cc(C3CCC3)ncn2)CC1
InChIInChI=1S/C14H19F2N3/c15-14(16)11-4-6-19(7-5-11)13-8-12(17-9-18-13)10-2-1-3-10/h8-11,14H,1-7H2
InChIKeyTYYATSUMUDOODS-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.23
Rot. Bonds3

About 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine

4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 166602994) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID166602994
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)C1CCN(c2cc(C3CCC3)ncn2)CC1
InChIInChI=1S/C14H19F2N3/c15-14(16)11-4-6-19(7-5-11)13-8-12(17-9-18-13)10-2-1-3-10/h8-11,14H,1-7H2
InChIKeyTYYATSUMUDOODS-UHFFFAOYSA-N
XLogP3.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-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-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine (CID 166602994) is 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine is FC(F)C1CCN(c2cc(C3CCC3)ncn2)CC1.
What is the InChIKey of 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is TYYATSUMUDOODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c15-14(16)11-4-6-19(7-5-11)13-8-12(17-9-18-13)10-2-1-3-10/h8-11,14H,1-7H2.
What are the key properties of 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine?
4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 267.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 166602994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).