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

C12H17F3N4O — CID 62179328

IUPACN-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-7(2)10-17-5-8(16-3)9(18-10)11(20)19(4)6-12(13,14)15/h5,7,16H,6H2,1-4H3
InChIKeyREXIYGYCJLHSOR-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.28
Rot. Bonds4

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

N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62179328) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62179328
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-7(2)10-17-5-8(16-3)9(18-10)11(20)19(4)6-12(13,14)15/h5,7,16H,6H2,1-4H3
InChIKeyREXIYGYCJLHSOR-UHFFFAOYSA-N
XLogP2.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62179328) is N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is REXIYGYCJLHSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(2)10-17-5-8(16-3)9(18-10)11(20)19(4)6-12(13,14)15/h5,7,16H,6H2,1-4H3.
What are the key properties of N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62179328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).