N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

C17H12ClF3N4O2 — CID 109346273

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(NCc2ccco2)ncn1
InChIInChI=1S/C17H12ClF3N4O2/c18-13-4-3-10(6-12(13)17(19,20)21)25-16(26)14-7-15(24-9-23-14)22-8-11-2-1-5-27-11/h1-7,9H,8H2,(H,25,26)(H,22,23,24)
InChIKeyGUKIBORQKBLNTM-UHFFFAOYSA-N
MW396.76 g/mol
LogP4.61
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109346273) has the molecular formula C17H12ClF3N4O2 and a molecular weight of 396.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109346273
Molecular FormulaC17H12ClF3N4O2
Molecular Weight396.76 g/mol
Exact Mass396.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(NCc2ccco2)ncn1
InChIInChI=1S/C17H12ClF3N4O2/c18-13-4-3-10(6-12(13)17(19,20)21)25-16(26)14-7-15(24-9-23-14)22-8-11-2-1-5-27-11/h1-7,9H,8H2,(H,25,26)(H,22,23,24)
InChIKeyGUKIBORQKBLNTM-UHFFFAOYSA-N
XLogP4.61
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.76
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(furan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109346240
6-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109346189
N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346291
N-(3,4-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187803
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
N-cyclopentyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109341395
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134945
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155464
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209570
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
CID 109339391
6-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109350226

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109346273) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(NCc2ccco2)ncn1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is GUKIBORQKBLNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O2/c18-13-4-3-10(6-12(13)17(19,20)21)25-16(26)14-7-15(24-9-23-14)22-8-11-2-1-5-27-11/h1-7,9H,8H2,(H,25,26)(H,22,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 396.76 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).