2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

C15H19F3N4O2 — CID 58305534

IUPAC2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(N3CCCC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)12-11(13(23)24)9-19-14(20-12)22-7-3-10(4-8-22)21-5-1-2-6-21/h9-10H,1-8H2,(H,23,24)
InChIKeyUIVSKZZMQCZGHR-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.26
Rot. Bonds3

About 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 58305534) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID58305534
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(N3CCCC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)12-11(13(23)24)9-19-14(20-12)22-7-3-10(4-8-22)21-5-1-2-6-21/h9-10H,1-8H2,(H,23,24)
InChIKeyUIVSKZZMQCZGHR-UHFFFAOYSA-N
XLogP2.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 58305534) is 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(N2CCC(N3CCCC3)CC2)nc1C(F)(F)F.
What is the InChIKey of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is UIVSKZZMQCZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)12-11(13(23)24)9-19-14(20-12)22-7-3-10(4-8-22)21-5-1-2-6-21/h9-10H,1-8H2,(H,23,24).
What are the key properties of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 344.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 58305534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).