4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine

C12H15F2N3O — CID 126778282

IUPAC4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine
SMILESFC(F)C1CN(c2ccnc(C3CC3)n2)CCO1
InChIInChI=1S/C12H15F2N3O/c13-11(14)9-7-17(5-6-18-9)10-3-4-15-12(16-10)8-1-2-8/h3-4,8-9,11H,1-2,5-7H2
InChIKeyHQMIHYHXPZNRJP-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.82
Rot. Bonds3

About 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine

4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine (PubChem CID 126778282) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine.

Molecular Properties

Compound Name4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine
PubChem CID126778282
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine
SMILESFC(F)C1CN(c2ccnc(C3CC3)n2)CCO1
InChIInChI=1S/C12H15F2N3O/c13-11(14)9-7-17(5-6-18-9)10-3-4-15-12(16-10)8-1-2-8/h3-4,8-9,11H,1-2,5-7H2
InChIKeyHQMIHYHXPZNRJP-UHFFFAOYSA-N
XLogP1.82
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine?
The IUPAC name of 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine (CID 126778282) is 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine.
What is the SMILES notation for 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine?
The canonical SMILES for 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine is FC(F)C1CN(c2ccnc(C3CC3)n2)CCO1.
What is the InChIKey of 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine?
The InChIKey is HQMIHYHXPZNRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-11(14)9-7-17(5-6-18-9)10-3-4-15-12(16-10)8-1-2-8/h3-4,8-9,11H,1-2,5-7H2.
What are the key properties of 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine?
4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine has a molecular weight of 255.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpyrimidin-4-yl)-2-(difluoromethyl)morpholine is sourced from PubChem (CID 126778282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).