N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C15H20F3N3O2 — CID 155957506

IUPACN-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)NC(C1CCC1)C(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-7(2)12-19-8(3)10(14(23)21-12)13(22)20-11(15(16,17)18)9-5-4-6-9/h7,9,11H,4-6H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyAWNQARMVNLANHJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.66
Rot. Bonds4

About N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 155957506) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID155957506
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)NC(C1CCC1)C(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-7(2)12-19-8(3)10(14(23)21-12)13(22)20-11(15(16,17)18)9-5-4-6-9/h7,9,11H,4-6H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyAWNQARMVNLANHJ-UHFFFAOYSA-N
XLogP2.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 155957506) is N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC(C1CCC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is AWNQARMVNLANHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-7(2)12-19-8(3)10(14(23)21-12)13(22)20-11(15(16,17)18)9-5-4-6-9/h7,9,11H,4-6H2,1-3H3,(H,20,22)(H,19,21,23).
What are the key properties of N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 155957506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).