[4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine

C11H15F2N3O — CID 114206163

IUPAC[4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(CC2CCCO2)nc1C(F)F
InChIInChI=1S/C11H15F2N3O/c12-11(13)10-7(5-14)6-15-9(16-10)4-8-2-1-3-17-8/h6,8,11H,1-5,14H2
InChIKeyLDZZLYXKZXYNLP-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.59
Rot. Bonds4

About [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine

[4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine (PubChem CID 114206163) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine
PubChem CID114206163
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name[4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(CC2CCCO2)nc1C(F)F
InChIInChI=1S/C11H15F2N3O/c12-11(13)10-7(5-14)6-15-9(16-10)4-8-2-1-3-17-8/h6,8,11H,1-5,14H2
InChIKeyLDZZLYXKZXYNLP-UHFFFAOYSA-N
XLogP1.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine 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-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine (CID 114206163) is [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine is NCc1cnc(CC2CCCO2)nc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine?
The InChIKey is LDZZLYXKZXYNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-11(13)10-7(5-14)6-15-9(16-10)4-8-2-1-3-17-8/h6,8,11H,1-5,14H2.
What are the key properties of [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine?
[4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine has a molecular weight of 243.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).