N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

C9H11F3N4O — CID 110833900

IUPACN-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCC(N)CNC(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H11F3N4O/c1-5(13)2-14-7(17)6-3-15-8(16-4-6)9(10,11)12/h3-5H,2,13H2,1H3,(H,14,17)
InChIKeyUKAKIDTUCJCTIV-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.57
Rot. Bonds3

About N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 110833900) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID110833900
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC NameN-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCC(N)CNC(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H11F3N4O/c1-5(13)2-14-7(17)6-3-15-8(16-4-6)9(10,11)12/h3-5H,2,13H2,1H3,(H,14,17)
InChIKeyUKAKIDTUCJCTIV-UHFFFAOYSA-N
XLogP0.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 70694174
4-amino-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038061
4-amino-2-[(3R)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038785
2-(Trifluoromethyl)pyrimidine-5-carboxamide
CID 68423044
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
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 N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 110833900) is N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is CC(N)CNC(=O)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is UKAKIDTUCJCTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-5(13)2-14-7(17)6-3-15-8(16-4-6)9(10,11)12/h3-5H,2,13H2,1H3,(H,14,17).
What are the key properties of N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 248.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110833900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).