2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one

C16H15N5O2S — CID 135629379

IUPAC2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2ncn(-c3ccccc3)c(=S)c12
InChIInChI=1S/C16H15N5O2S/c22-14-12-13(18-16(19-14)20-6-8-23-9-7-20)17-10-21(15(12)24)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,19,22)
InChIKeyGWOHNWKQDCOVHU-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.67
Rot. Bonds2

About 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one

2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one (PubChem CID 135629379) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
PubChem CID135629379
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2ncn(-c3ccccc3)c(=S)c12
InChIInChI=1S/C16H15N5O2S/c22-14-12-13(18-16(19-14)20-6-8-23-9-7-20)17-10-21(15(12)24)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,19,22)
InChIKeyGWOHNWKQDCOVHU-UHFFFAOYSA-N
XLogP1.67
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one 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-[4-(Morpholin-4-Yl)-6-Oxo-1,6-Dihydropyrimidin-2-Yl]-N-Phenylacetamide
CID 135566741
11-(Morpholin-4-ylmethyl)-8-phenyl-7-sulfanylidene-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-dien-13-one
CID 135995897
9-(Anilinomethyl)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179690
2-morpholin-4-yl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-9-carboxamide
CID 122179711
11-Amino-9-(4-morpholin-4-ylphenyl)-5,13-bis(sulfanylidene)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3,8,10-tetraen-7-one
CID 44583002
11-Amino-9-(4-morpholin-4-ylphenyl)-5-sulfanylidene-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3,8,10,13-pentaen-7-one
CID 135857539
6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide
CID 70326694
5-(2-Fluoro-4-iodoanilino)-1-(2-methoxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 71081004
5-fluoro-2-(4-morpholin-4-ylanilino)-6-sulfanylidene-1H-pyridine-3-carboxamide
CID 144106986
(E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 155233537
N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 155714079
1-(4-fluorophenyl)-7,8-dimethyl-3-(3-morpholinopropyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 43865455

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one?
The IUPAC name of 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one (CID 135629379) is 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one?
The canonical SMILES for 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one is O=c1[nH]c(N2CCOCC2)nc2ncn(-c3ccccc3)c(=S)c12.
What is the InChIKey of 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one?
The InChIKey is GWOHNWKQDCOVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-14-12-13(18-16(19-14)20-6-8-23-9-7-20)17-10-21(15(12)24)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,19,22).
What are the key properties of 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one?
2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one has a molecular weight of 341.40 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-phenyl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one is sourced from PubChem (CID 135629379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).