2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile

C18H14N6O2 — CID 135453236

IUPAC2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nc(N)n(/N=C/c2ccccc2O)c1=O
InChIInChI=1S/C18H14N6O2/c19-10-14-16(22-13-7-2-1-3-8-13)23-18(20)24(17(14)26)21-11-12-6-4-5-9-15(12)25/h1-9,11,22,25H,(H2,20,23)/b21-11+
InChIKeyNVBPZCQGXDYEPB-SRZZPIQSSA-N
MW346.35 g/mol
LogP2.03
Rot. Bonds4

About 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile

2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile (PubChem CID 135453236) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile
PubChem CID135453236
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nc(N)n(/N=C/c2ccccc2O)c1=O
InChIInChI=1S/C18H14N6O2/c19-10-14-16(22-13-7-2-1-3-8-13)23-18(20)24(17(14)26)21-11-12-6-4-5-9-15(12)25/h1-9,11,22,25H,(H2,20,23)/b21-11+
InChIKeyNVBPZCQGXDYEPB-SRZZPIQSSA-N
XLogP2.03
TPSA129.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-anilino-5-[(8-hydroxy-9,10-dioxoanthracen-1-yl)diazenyl]-4-methylpyridine-3-carbonitrile
CID 118002102
6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771017
2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol
CID 135824983
1-[(E)-(2-methylphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87362252
7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 171933668
2-(carbazol-9-yliminomethyl)phenol
CID 691316
2-amino-N-(3,5-dimethylphenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649133
2-anilino-3,5,6-trichloropyridine-4-carbonitrile
CID 13057542
4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135781819
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351951
4,6-dimethyl-1-[[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-2-oxopyridine-3-carbonitrile
CID 23350544
4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile
CID 139084695

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile (CID 135453236) is 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile is N#Cc1c(Nc2ccccc2)nc(N)n(/N=C/c2ccccc2O)c1=O.
What is the InChIKey of 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile?
The InChIKey is NVBPZCQGXDYEPB-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H14N6O2/c19-10-14-16(22-13-7-2-1-3-8-13)23-18(20)24(17(14)26)21-11-12-6-4-5-9-15(12)25/h1-9,11,22,25H,(H2,20,23)/b21-11+.
What are the key properties of 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile?
2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile has a molecular weight of 346.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile is sourced from PubChem (CID 135453236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).