N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C11H14F3N3O — CID 56878990

IUPACN-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NC2CCOC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)4-1-8-2-5-15-10(16-8)17-9-3-6-18-7-9/h2,5,9H,1,3-4,6-7H2,(H,15,16,17)
InChIKeyLQORODBHQFBGGX-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.17
Rot. Bonds4

About N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56878990) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56878990
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NC2CCOC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)4-1-8-2-5-15-10(16-8)17-9-3-6-18-7-9/h2,5,9H,1,3-4,6-7H2,(H,15,16,17)
InChIKeyLQORODBHQFBGGX-UHFFFAOYSA-N
XLogP2.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56878990) is N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(NC2CCOC2)n1.
What is the InChIKey of N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is LQORODBHQFBGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)4-1-8-2-5-15-10(16-8)17-9-3-6-18-7-9/h2,5,9H,1,3-4,6-7H2,(H,15,16,17).
What are the key properties of N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 261.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56878990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).