2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C17H13F3N4O2 — CID 109303361

IUPAC2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)12-5-1-2-6-13(12)23-15(25)14-7-8-21-16(24-14)22-10-11-4-3-9-26-11/h1-9H,10H2,(H,23,25)(H,21,22,24)
InChIKeyWJDBFWCURFMGDX-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.95
Rot. Bonds5

About 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109303361) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109303361
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)12-5-1-2-6-13(12)23-15(25)14-7-8-21-16(24-14)22-10-11-4-3-9-26-11/h1-9H,10H2,(H,23,25)(H,21,22,24)
InChIKeyWJDBFWCURFMGDX-UHFFFAOYSA-N
XLogP3.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279581
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
N-(2,3-dichlorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303404
N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303393
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109231573
2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109303381
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109299424
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303374
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109303361) is 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is WJDBFWCURFMGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)12-5-1-2-6-13(12)23-15(25)14-7-8-21-16(24-14)22-10-11-4-3-9-26-11/h1-9H,10H2,(H,23,25)(H,21,22,24).
What are the key properties of 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109303361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).