6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione

C13H14N4O3 — CID 136908488

IUPAC6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(/N=C/c2ccccc2O)c(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-11(14)10(12(19)17(2)13(16)20)15-7-8-5-3-4-6-9(8)18/h3-7,18H,14H2,1-2H3/b15-7+
InChIKeyRVNJZGMEKWROQP-VIZOYTHASA-N
MW274.28 g/mol
LogP0.12
Rot. Bonds2

About 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 136908488) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID136908488
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(/N=C/c2ccccc2O)c(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-11(14)10(12(19)17(2)13(16)20)15-7-8-5-3-4-6-9(8)18/h3-7,18H,14H2,1-2H3/b15-7+
InChIKeyRVNJZGMEKWROQP-VIZOYTHASA-N
XLogP0.12
TPSA102.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-({(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino)pyrimidine-2,4(1H,3H)-dione
CID 3964694
3-Hydroxybenzaldehyde (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)hydrazone
CID 46498878
6-[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 156021015
5-{[(E)-(5-chloro-2-hydroxyphenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione
CID 404523
chloroplatinum;[5-[(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyrimidin-4-ylidene]oxidanium
CID 4437712
(E)-5-{[5-(tert-Butyl)-2-hydroxybenzylidene]-amino}pyrimidine-2,4(1H,3H)-dione
CID 137700953
6-Amino-5-[(4-hydroxybenzylidene)amino]-4-pyrimidinol
CID 135444958
3-[(2-hydroxybenzylidene)-amino]-1H-pyridin-2-one
CID 136711080
6-Amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione
CID 137316006
5-[(5-bromo-2-hydroxybenzylidene)amino]-2,4(1H,3H)-pyrimidinedione
CID 298369
5-[1-(2-hydroxy-5-methylphenyl)ethylideneamino]-1H-pyrimidine-2,4-dione
CID 324488
5-[(4-hydroxybenzylidene)amino]-2,4(1H,3H)-pyrimidinedione
CID 404522

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione (CID 136908488) is 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(/N=C/c2ccccc2O)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RVNJZGMEKWROQP-VIZOYTHASA-N. The full InChI is InChI=1S/C13H14N4O3/c1-16-11(14)10(12(19)17(2)13(16)20)15-7-8-5-3-4-6-9(8)18/h3-7,18H,14H2,1-2H3/b15-7+.
What are the key properties of 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 136908488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).