(2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone

C14H16F3N3O2 — CID 56865835

IUPAC(2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H16F3N3O2/c1-8-10(6-18-12(19-8)9-2-3-9)13(21)20-4-5-22-11(7-20)14(15,16)17/h6,9,11H,2-5,7H2,1H3
InChIKeyVQIVTPUBKGJCHX-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.07
Rot. Bonds2

About (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone

(2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56865835) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56865835
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name(2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H16F3N3O2/c1-8-10(6-18-12(19-8)9-2-3-9)13(21)20-4-5-22-11(7-20)14(15,16)17/h6,9,11H,2-5,7H2,1H3
InChIKeyVQIVTPUBKGJCHX-UHFFFAOYSA-N
XLogP2.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56865835) is (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is Cc1nc(C2CC2)ncc1C(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is VQIVTPUBKGJCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-8-10(6-18-12(19-8)9-2-3-9)13(21)20-4-5-22-11(7-20)14(15,16)17/h6,9,11H,2-5,7H2,1H3.
What are the key properties of (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 315.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-methylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56865835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).