cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate

C14H16F3N3O3 — CID 2808238

IUPACcyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESO=C(OCC1CC1)c1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)11-10(12(21)23-8-9-1-2-9)7-18-13(19-11)20-3-5-22-6-4-20/h7,9H,1-6,8H2
InChIKeyWQIRYFWMJPBOOW-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.90
Rot. Bonds4

About cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate

cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 2808238) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID2808238
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Namecyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESO=C(OCC1CC1)c1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)11-10(12(21)23-8-9-1-2-9)7-18-13(19-11)20-3-5-22-6-4-20/h7,9H,1-6,8H2
InChIKeyWQIRYFWMJPBOOW-UHFFFAOYSA-N
XLogP1.90
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate (CID 2808238) is cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate is O=C(OCC1CC1)c1cnc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is WQIRYFWMJPBOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c15-14(16,17)11-10(12(21)23-8-9-1-2-9)7-18-13(19-11)20-3-5-22-6-4-20/h7,9H,1-6,8H2.
What are the key properties of cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 331.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 2808238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).