N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

C16H14N4O — CID 5332854

IUPACN-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2ccco2)n1
InChIInChI=1S/C16H14N4O/c1-12-10-15(13-6-3-2-4-7-13)19-16(18-12)20-17-11-14-8-5-9-21-14/h2-11H,1H3,(H,18,19,20)/b17-11+
InChIKeyHJJHAFQKCZPHLI-GZTJUZNOSA-N
MW278.31 g/mol
LogP3.49
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (PubChem CID 5332854) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
PubChem CID5332854
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2ccco2)n1
InChIInChI=1S/C16H14N4O/c1-12-10-15(13-6-3-2-4-7-13)19-16(18-12)20-17-11-14-8-5-9-21-14/h2-11H,1H3,(H,18,19,20)/b17-11+
InChIKeyHJJHAFQKCZPHLI-GZTJUZNOSA-N
XLogP3.49
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2-furaldehyde (5-phenyl-1,2,4-triazin-3-yl)hydrazone
CID 9590509
2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-4,6-dimethylfuro[2,3-d]pyrimidine
CID 9629504
1-(2-Furyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 9705263
6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3234823
1-(5-Methyl-2-furyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 9646770
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 9676384
3-[(2E)-2-[(2E)-3-(Furan-2-YL)prop-2-EN-1-ylidene]hydrazin-1-YL]-5-(4-methoxyphenyl)-1,2,4-triazine
CID 9776887
4,6-dimethyl-2-{(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl}pyrimidine
CID 5334057
6-Benzylidenehydrazino-2,4-dimethyl-5,7-diazabenzofuran
CID 9603342
4,6-dimethyl-N-[(E)-(2-methyl-1-benzofuran-3-yl)methylideneamino]pyrimidin-2-amine
CID 9606627
N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 3133620
6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3233378

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (CID 5332854) is N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is Cc1cc(-c2ccccc2)nc(N/N=C/c2ccco2)n1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The InChIKey is HJJHAFQKCZPHLI-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12-10-15(13-6-3-2-4-7-13)19-16(18-12)20-17-11-14-8-5-9-21-14/h2-11H,1H3,(H,18,19,20)/b17-11+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine has a molecular weight of 278.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 5332854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).