N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide

C16H14N4O2 — CID 91437042

IUPACN'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide
SMILESO=C(NNCc1ccco1)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C16H14N4O2/c21-16(20-19-10-13-7-4-8-22-13)15-9-14(17-11-18-15)12-5-2-1-3-6-12/h1-9,11,19H,10H2,(H,20,21)
InChIKeyCIIYNBUDPBBDOJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.17
Rot. Bonds5

About N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide

N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide (PubChem CID 91437042) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide
PubChem CID91437042
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide
SMILESO=C(NNCc1ccco1)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C16H14N4O2/c21-16(20-19-10-13-7-4-8-22-13)15-9-14(17-11-18-15)12-5-2-1-3-6-12/h1-9,11,19H,10H2,(H,20,21)
InChIKeyCIIYNBUDPBBDOJ-UHFFFAOYSA-N
XLogP2.17
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109346189
6-phenylpyrimidine-4-carboxamide
CID 12582963
6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346373
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid
CID 171713642
N-cyclopentyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109341395
6-(dipropylamino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346353
N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079602
N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346291
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide?
The IUPAC name of N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide (CID 91437042) is N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide?
The canonical SMILES for N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide is O=C(NNCc1ccco1)c1cc(-c2ccccc2)ncn1.
What is the InChIKey of N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide?
The InChIKey is CIIYNBUDPBBDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(20-19-10-13-7-4-8-22-13)15-9-14(17-11-18-15)12-5-2-1-3-6-12/h1-9,11,19H,10H2,(H,20,21).
What are the key properties of N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide?
N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide has a molecular weight of 294.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 91437042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).