2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C16H12F2N4O2 — CID 109303563

IUPAC2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C16H12F2N4O2/c17-10-3-4-13(12(18)8-10)21-16-19-6-5-14(22-16)15(23)20-9-11-2-1-7-24-11/h1-8H,9H2,(H,20,23)(H,19,21,22)
InChIKeyPTEXDHYCITXFKH-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.02
Rot. Bonds5

About 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109303563) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109303563
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C16H12F2N4O2/c17-10-3-4-13(12(18)8-10)21-16-19-6-5-14(22-16)15(23)20-9-11-2-1-7-24-11/h1-8H,9H2,(H,20,23)(H,19,21,22)
InChIKeyPTEXDHYCITXFKH-UHFFFAOYSA-N
XLogP3.02
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303393
2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307146
5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187626
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303579
6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464446
2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303534
ethyl 2-[[4-(furan-2-ylmethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303578
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303559
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109303563) is 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccco1)c1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is PTEXDHYCITXFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-10-3-4-13(12(18)8-10)21-16-19-6-5-14(22-16)15(23)20-9-11-2-1-7-24-11/h1-8H,9H2,(H,20,23)(H,19,21,22).
What are the key properties of 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).