2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

C10H13F3N4O — CID 72916994

IUPAC2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N4O/c1-6(2)17-9-14-3-7(4-15-9)8(18)16-5-10(11,12)13/h3-4,6H,5H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyDFGOOSDVSCNQSI-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.59
Rot. Bonds4

About 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (PubChem CID 72916994) has the molecular formula C10H13F3N4O and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
PubChem CID72916994
Molecular FormulaC10H13F3N4O
Molecular Weight262.24 g/mol
Exact Mass262.10
IUPAC Name2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N4O/c1-6(2)17-9-14-3-7(4-15-9)8(18)16-5-10(11,12)13/h3-4,6H,5H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyDFGOOSDVSCNQSI-UHFFFAOYSA-N
XLogP1.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 70694174
2-(Trifluoromethyl)pyrimidine-5-carboxamide
CID 68423044
Pyrimidine-5-carboxamide
CID 351819
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide
CID 586434
2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488650
Pyrimidine, 5-carbamoyl-2-methylamino-
CID 69179728
US9670193, 26 (R)-N-(1-(dimethylamino)propan-2-yl)-2-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide
CID 89601211
4-Amino-2-[(2,2-Dimethylpropyl)amino]pyrimidine-5-Carboxamide
CID 118796829
2-(2-Aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
CID 70981182
2-Aminopyrimidine-5-carboxamide
CID 254895
4-Amino-2-methylpyrimidine-5-carboxamide
CID 320019
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-
CID 3042986

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (CID 72916994) is 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The InChIKey is DFGOOSDVSCNQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-6(2)17-9-14-3-7(4-15-9)8(18)16-5-10(11,12)13/h3-4,6H,5H2,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide has a molecular weight of 262.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72916994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).