[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C10H12F3N3O — CID 114205976

IUPAC[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CCOC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-7(3-14)4-15-9(16-8)6-1-2-17-5-6/h4,6H,1-3,5,14H2
InChIKeyVLQSRNVMKAIQME-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.46
Rot. Bonds2

About [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114205976) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114205976
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CCOC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-7(3-14)4-15-9(16-8)6-1-2-17-5-6/h4,6H,1-3,5,14H2
InChIKeyVLQSRNVMKAIQME-UHFFFAOYSA-N
XLogP1.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 114205976) is [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is NCc1cnc(C2CCOC2)nc1C(F)(F)F.
What is the InChIKey of [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is VLQSRNVMKAIQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-7(3-14)4-15-9(16-8)6-1-2-17-5-6/h4,6H,1-3,5,14H2.
What are the key properties of [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 247.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).