N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

C16H12F2N4O2 — CID 109346291

IUPACN-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc(NCc2ccco2)ncn1
InChIInChI=1S/C16H12F2N4O2/c17-11-4-1-5-12(18)15(11)22-16(23)13-7-14(21-9-20-13)19-8-10-3-2-6-24-10/h1-7,9H,8H2,(H,22,23)(H,19,20,21)
InChIKeyZSHBGWKPPKWNQO-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.21
Rot. Bonds5

About N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109346291) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109346291
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC NameN-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc(NCc2ccco2)ncn1
InChIInChI=1S/C16H12F2N4O2/c17-11-4-1-5-12(18)15(11)22-16(23)13-7-14(21-9-20-13)19-8-10-3-2-6-24-10/h1-7,9H,8H2,(H,22,23)(H,19,20,21)
InChIKeyZSHBGWKPPKWNQO-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

6-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109346189
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
6-(furan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109346240
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346273
N-cyclopentyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109341395
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109346291) is N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1c(F)cccc1F)c1cc(NCc2ccco2)ncn1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is ZSHBGWKPPKWNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-11-4-1-5-12(18)15(11)22-16(23)13-7-14(21-9-20-13)19-8-10-3-2-6-24-10/h1-7,9H,8H2,(H,22,23)(H,19,20,21).
What are the key properties of N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-6-(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-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).