methylphosphane;thieno[2,3-d]pyrimidin-5-one

C7H9N2OPS — CID 145128567

IUPACmethylphosphane;thieno[2,3-d]pyrimidin-5-one
SMILESCP.O=C1CSc2ncncc21
InChIInChI=1S/C6H4N2OS.CH5P/c9-5-2-10-6-4(5)1-7-3-8-6;1-2/h1,3H,2H2;2H2,1H3
InChIKeyRVASGMUDYZWVSU-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.26
Rot. Bonds

About methylphosphane;thieno[2,3-d]pyrimidin-5-one

methylphosphane;thieno[2,3-d]pyrimidin-5-one (PubChem CID 145128567) has the molecular formula C7H9N2OPS and a molecular weight of 200.20 g/mol. Its IUPAC name is methylphosphane;thieno[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Namemethylphosphane;thieno[2,3-d]pyrimidin-5-one
PubChem CID145128567
Molecular FormulaC7H9N2OPS
Molecular Weight200.20 g/mol
Exact Mass200.02
IUPAC Namemethylphosphane;thieno[2,3-d]pyrimidin-5-one
SMILESCP.O=C1CSc2ncncc21
InChIInChI=1S/C6H4N2OS.CH5P/c9-5-2-10-6-4(5)1-7-3-8-6;1-2/h1,3H,2H2;2H2,1H3
InChIKeyRVASGMUDYZWVSU-UHFFFAOYSA-N
XLogP1.26
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

thieno[2,3-d]pyrimidin-5-one
CID 140897228
3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
CID 82417594
8-methyl-8λ4,9-dithia-2,4,7-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
CID 173233981
6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one
CID 21300280
pyrazolo[3,4-d]pyrimidin-3-one
CID 66667981
(3Z)-3-(chloromethylidene)thiopyrano[2,3-b]pyridin-4-one
CID 58083214
4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine
CID 105370998
5-propan-2-ylidene-8H-quinazoline
CID 58808804
6,7-bis[(4-methylphenyl)sulfanyl]quinazoline-5,8-dione
CID 57395794
6,11-dihydropyrimido[4,5-b][1]benzazepin-5-one
CID 70562575

Frequently Asked Questions

What is the IUPAC name of methylphosphane;thieno[2,3-d]pyrimidin-5-one?
The IUPAC name of methylphosphane;thieno[2,3-d]pyrimidin-5-one (CID 145128567) is methylphosphane;thieno[2,3-d]pyrimidin-5-one.
What is the SMILES notation for methylphosphane;thieno[2,3-d]pyrimidin-5-one?
The canonical SMILES for methylphosphane;thieno[2,3-d]pyrimidin-5-one is CP.O=C1CSc2ncncc21.
What is the InChIKey of methylphosphane;thieno[2,3-d]pyrimidin-5-one?
The InChIKey is RVASGMUDYZWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS.CH5P/c9-5-2-10-6-4(5)1-7-3-8-6;1-2/h1,3H,2H2;2H2,1H3.
What are the key properties of methylphosphane;thieno[2,3-d]pyrimidin-5-one?
methylphosphane;thieno[2,3-d]pyrimidin-5-one has a molecular weight of 200.20 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphane;thieno[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 145128567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).