6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione

C14H15N3O3 — CID 1375946

IUPAC6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)15-8-11-12(18)16(2)14(20)17(3)13(11)19/h4-8,18H,1-3H3/b15-8+
InChIKeyREAVDXHXSJHYEP-OVCLIPMQSA-N
MW273.29 g/mol
LogP0.85
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 1375946) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID1375946
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)15-8-11-12(18)16(2)14(20)17(3)13(11)19/h4-8,18H,1-3H3/b15-8+
InChIKeyREAVDXHXSJHYEP-OVCLIPMQSA-N
XLogP0.85
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(Anilinomethylene)-1,3-dimethylbarbituric acid
CID 2320102
1,3-Dimethyl-5-[1-(3-trifluoromethyl-phenylamino)-propylidene]-pyrimidine-2,4,6-trione
CID 1403133
1-allyl-5-{[(4-fluorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1908935
(5E)-6-hydroxy-3-(3-methylphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1947637
1,3-dimethyl-5-{[3-(trifluoromethyl)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2308729
5-{[(4-bromophenyl)amino]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 2369567
5-(Anilinomethylene)barbituric acid
CID 2250488
5-[[4-(Diethylamino)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
CID 3368525
(5E)-1-(butan-2-yl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione
CID 3774597
(5E)-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3-fluorophenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 4872193
(E)-1-allyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 5124900
(5Z)-5-[(2E)-3-(phenylamino)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135450529

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 1375946) is 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione is Cc1cccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)c1.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is REAVDXHXSJHYEP-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)15-8-11-12(18)16(2)14(20)17(3)13(11)19/h4-8,18H,1-3H3/b15-8+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 273.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1375946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).