6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C16H12ClFN4O2 — CID 109346391

IUPAC6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C16H12ClFN4O2/c17-12-6-10(3-4-13(12)18)22-15-7-14(20-9-21-15)16(23)19-8-11-2-1-5-24-11/h1-7,9H,8H2,(H,19,23)(H,20,21,22)
InChIKeyNCGAXDGHFLKDBO-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.54
Rot. Bonds5

About 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109346391) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109346391
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC Name6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C16H12ClFN4O2/c17-12-6-10(3-4-13(12)18)22-15-7-14(20-9-21-15)16(23)19-8-11-2-1-5-24-11/h1-7,9H,8H2,(H,19,23)(H,20,21,22)
InChIKeyNCGAXDGHFLKDBO-UHFFFAOYSA-N
XLogP3.54
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368165
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346387
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209444
6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346452

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109346391) is 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccco1)c1cc(Nc2ccc(F)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is NCGAXDGHFLKDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c17-12-6-10(3-4-13(12)18)22-15-7-14(20-9-21-15)16(23)19-8-11-2-1-5-24-11/h1-7,9H,8H2,(H,19,23)(H,20,21,22).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 346.75 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).