N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide

C15H15F3N4O2 — CID 10268817

IUPACN-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(N2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)12-11(13(23)19-8-10-4-3-7-24-10)9-20-14(21-12)22-5-1-2-6-22/h3-4,7,9H,1-2,5-6,8H2,(H,19,23)
InChIKeyAJQJXVAMUBPZPZ-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.62
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide

N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10268817) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10268817
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(N2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)12-11(13(23)19-8-10-4-3-7-24-10)9-20-14(21-12)22-5-1-2-6-22/h3-4,7,9H,1-2,5-6,8H2,(H,19,23)
InChIKeyAJQJXVAMUBPZPZ-UHFFFAOYSA-N
XLogP2.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10268817) is N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is O=C(NCc1ccco1)c1cnc(N2CCCC2)nc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is AJQJXVAMUBPZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)12-11(13(23)19-8-10-4-3-7-24-10)9-20-14(21-12)22-5-1-2-6-22/h3-4,7,9H,1-2,5-6,8H2,(H,19,23).
What are the key properties of N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10268817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).