5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C11H15F3N4O — CID 62171561

IUPAC5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-6(2)9-16-4-7(15-3)8(18-9)10(19)17-5-11(12,13)14/h4,6,15H,5H2,1-3H3,(H,17,19)
InChIKeyVKBOFFDQDTUJAZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.93
Rot. Bonds4

About 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62171561) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62171561
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-6(2)9-16-4-7(15-3)8(18-9)10(19)17-5-11(12,13)14/h4,6,15H,5H2,1-3H3,(H,17,19)
InChIKeyVKBOFFDQDTUJAZ-UHFFFAOYSA-N
XLogP1.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62171561) is 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is VKBOFFDQDTUJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6(2)9-16-4-7(15-3)8(18-9)10(19)17-5-11(12,13)14/h4,6,15H,5H2,1-3H3,(H,17,19).
What are the key properties of 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62171561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).