2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

C11H13F3N4O2 — CID 68779278

IUPAC2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCNCC2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-7(9(19)20)5-16-10(18-8)17-6-1-3-15-4-2-6/h5-6,15H,1-4H2,(H,19,20)(H,16,17,18)
InChIKeyJEJLPIMBNVWSRP-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.36
Rot. Bonds3

About 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 68779278) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID68779278
Molecular FormulaC11H13F3N4O2
Molecular Weight290.24 g/mol
Exact Mass290.10
IUPAC Name2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCNCC2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-7(9(19)20)5-16-10(18-8)17-6-1-3-15-4-2-6/h5-6,15H,1-4H2,(H,19,20)(H,16,17,18)
InChIKeyJEJLPIMBNVWSRP-UHFFFAOYSA-N
XLogP1.36
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 68779278) is 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(NC2CCNCC2)nc1C(F)(F)F.
What is the InChIKey of 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is JEJLPIMBNVWSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)8-7(9(19)20)5-16-10(18-8)17-6-1-3-15-4-2-6/h5-6,15H,1-4H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 290.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 68779278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).