6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione

C19H24N4O3 — CID 1414743

IUPAC6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCCCC1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-14(20-10-13-22-11-6-3-7-12-22)16-17(24)21-19(26)23(18(16)25)15-8-4-2-5-9-15/h2,4-5,8-9,25H,3,6-7,10-13H2,1H3,(H,21,24,26)/b20-14+
InChIKeyATKNSRMGCIJFJO-XSFVSMFZSA-N
MW356.43 g/mol
LogP1.53
Rot. Bonds5

About 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione

6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione (PubChem CID 1414743) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
PubChem CID1414743
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCCCC1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-14(20-10-13-22-11-6-3-7-12-22)16-17(24)21-19(26)23(18(16)25)15-8-4-2-5-9-15/h2,4-5,8-9,25H,3,6-7,10-13H2,1H3,(H,21,24,26)/b20-14+
InChIKeyATKNSRMGCIJFJO-XSFVSMFZSA-N
XLogP1.53
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Thioxo-dihydropyrimidine-4,6-dione, 1-phenyl-5-[(2-piperazin-1-yl-ethylamino)methylene]-
CID 1571433
(E)-N-(4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)phenyl)acetamide
CID 937012
5-[(4-Diethylamino-phenylamino)-methylene]-pyrimidine-2,4,6-trione
CID 352290
(5E)-1-(2-fluorophenyl)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 1557218
(5E)-1-(4-bromophenyl)-5-[(2-piperidin-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione
CID 1577222
(5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
CID 1612121
(5E)-6-hydroxy-3-(3-methylphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1947637
5-{1-[(2-aminophenyl)amino]ethylidene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2839918
(5E)-5-[1-[4-(dimethylamino)anilino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 4529300
1-((6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)carbonyl)-4-phenyl-piperazine
CID 100271
6-Hydroxy-5-methanimidoyl-1,3-diphenylpyrimidine-2,4-dione
CID 288290
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione (CID 1414743) is 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione is C/C(=N\CCN1CCCCC1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
The InChIKey is ATKNSRMGCIJFJO-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14(20-10-13-22-11-6-3-7-12-22)16-17(24)21-19(26)23(18(16)25)15-8-4-2-5-9-15/h2,4-5,8-9,25H,3,6-7,10-13H2,1H3,(H,21,24,26)/b20-14+.
What are the key properties of 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 1414743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).