N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

C16H12F2N4O2 — CID 109303393

IUPACN-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C16H12F2N4O2/c17-10-3-4-13(12(18)8-10)21-15(23)14-5-6-19-16(22-14)20-9-11-2-1-7-24-11/h1-8H,9H2,(H,21,23)(H,19,20,22)
InChIKeyMFNPOJUROFJILY-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.21
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109303393) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109303393
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC NameN-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C16H12F2N4O2/c17-10-3-4-13(12(18)8-10)21-15(23)14-5-6-19-16(22-14)20-9-11-2-1-7-24-11/h1-8H,9H2,(H,21,23)(H,19,20,22)
InChIKeyMFNPOJUROFJILY-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303563
N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305603
2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109303361
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
N-(2,3-dichlorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303404
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306600
N-(2,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231606
N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301831
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301529
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109303393) is N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is MFNPOJUROFJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-10-3-4-13(12(18)8-10)21-15(23)14-5-6-19-16(22-14)20-9-11-2-1-7-24-11/h1-8H,9H2,(H,21,23)(H,19,20,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).