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

C12H17F3N4O — CID 62171737

IUPAC5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-4-16-8-5-17-10(7(2)3)19-9(8)11(20)18-6-12(13,14)15/h5,7,16H,4,6H2,1-3H3,(H,18,20)
InChIKeyIGQXHSZEJCMLHE-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.32
Rot. Bonds5

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

5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62171737) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62171737
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-4-16-8-5-17-10(7(2)3)19-9(8)11(20)18-6-12(13,14)15/h5,7,16H,4,6H2,1-3H3,(H,18,20)
InChIKeyIGQXHSZEJCMLHE-UHFFFAOYSA-N
XLogP2.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62171737) is 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CCNc1cnc(C(C)C)nc1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is IGQXHSZEJCMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-4-16-8-5-17-10(7(2)3)19-9(8)11(20)18-6-12(13,14)15/h5,7,16H,4,6H2,1-3H3,(H,18,20).
What are the key properties of 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62171737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).