6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide

C15H17F3N6O2 — CID 91938262

IUPAC6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17F3N6O2/c1-10-6-12(22-14(20-10)23-2-4-26-5-3-23)13(25)21-11-7-19-24(8-11)9-15(16,17)18/h6-8H,2-5,9H2,1H3,(H,21,25)
InChIKeyGCBZHQGNOGJWOA-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.63
Rot. Bonds4

About 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide

6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide (PubChem CID 91938262) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide
PubChem CID91938262
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17F3N6O2/c1-10-6-12(22-14(20-10)23-2-4-26-5-3-23)13(25)21-11-7-19-24(8-11)9-15(16,17)18/h6-8H,2-5,9H2,1H3,(H,21,25)
InChIKeyGCBZHQGNOGJWOA-UHFFFAOYSA-N
XLogP1.63
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide (CID 91938262) is 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide?
The InChIKey is GCBZHQGNOGJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-10-6-12(22-14(20-10)23-2-4-26-5-3-23)13(25)21-11-7-19-24(8-11)9-15(16,17)18/h6-8H,2-5,9H2,1H3,(H,21,25).
What are the key properties of 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide?
6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide has a molecular weight of 370.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91938262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).