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

C13H19F3N4O — CID 62179329

IUPAC5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-5-17-9-6-18-11(8(2)3)19-10(9)12(21)20(4)7-13(14,15)16/h6,8,17H,5,7H2,1-4H3
InChIKeyLBFZNNXDSUSCPT-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.67
Rot. Bonds5

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

5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62179329) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62179329
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-5-17-9-6-18-11(8(2)3)19-10(9)12(21)20(4)7-13(14,15)16/h6,8,17H,5,7H2,1-4H3
InChIKeyLBFZNNXDSUSCPT-UHFFFAOYSA-N
XLogP2.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016557
N-(2,2-dimethylpropyl)-5-hydrazinyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62243662
N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 63228199
5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62167379
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595
5-hydrazinyl-N-methyl-N-pentyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62242106
5-(ethylamino)-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63961032
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62180898
N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide
CID 62169296
5-(ethylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175298
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62181175

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62179329) is 5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CCNc1cnc(C(C)C)nc1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is LBFZNNXDSUSCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-5-17-9-6-18-11(8(2)3)19-10(9)12(21)20(4)7-13(14,15)16/h6,8,17H,5,7H2,1-4H3.
What are the key properties of 5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62179329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).