N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide

C13H18F3N3O2 — CID 132970897

IUPACN-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCOCC(C)(C)N(C)C(=O)c1cc(C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O2/c1-8-6-9(18-11(17-8)13(14,15)16)10(20)19(4)12(2,3)7-21-5/h6H,7H2,1-5H3
InChIKeyJGYZLTPHIFODPA-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.30
Rot. Bonds4

About N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide

N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 132970897) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID132970897
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCOCC(C)(C)N(C)C(=O)c1cc(C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O2/c1-8-6-9(18-11(17-8)13(14,15)16)10(20)19(4)12(2,3)7-21-5/h6H,7H2,1-5H3
InChIKeyJGYZLTPHIFODPA-UHFFFAOYSA-N
XLogP2.30
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 132970897) is N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is COCC(C)(C)N(C)C(=O)c1cc(C)nc(C(F)(F)F)n1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is JGYZLTPHIFODPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8-6-9(18-11(17-8)13(14,15)16)10(20)19(4)12(2,3)7-21-5/h6H,7H2,1-5H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 132970897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).