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

C12H17F3N4O — CID 62162034

IUPAC5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C12H17F3N4O/c1-4-19(6-12(13,14)15)11(20)9-8(16)5-17-10(18-9)7(2)3/h5,7H,4,6,16H2,1-3H3
InChIKeyVFTZEJMEMGRFQT-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.21
Rot. Bonds4

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

5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62162034) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62162034
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C12H17F3N4O/c1-4-19(6-12(13,14)15)11(20)9-8(16)5-17-10(18-9)7(2)3/h5,7H,4,6,16H2,1-3H3
InChIKeyVFTZEJMEMGRFQT-UHFFFAOYSA-N
XLogP2.21
TPSA72.11 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62162034) is 5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CCN(CC(F)(F)F)C(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is VFTZEJMEMGRFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-4-19(6-12(13,14)15)11(20)9-8(16)5-17-10(18-9)7(2)3/h5,7H,4,6,16H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62162034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).