8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C15H16N2O3S — CID 135403102

IUPAC8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCOc1ccc(Cc2c(O)nc3n(c2=O)CCCS3)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-11-5-3-10(4-6-11)9-12-13(18)16-15-17(14(12)19)7-2-8-21-15/h3-6,18H,2,7-9H2,1H3
InChIKeyDQNXWUIQJSAVHQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.04
Rot. Bonds3

About 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135403102) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135403102
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCOc1ccc(Cc2c(O)nc3n(c2=O)CCCS3)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-11-5-3-10(4-6-11)9-12-13(18)16-15-17(14(12)19)7-2-8-21-15/h3-6,18H,2,7-9H2,1H3
InChIKeyDQNXWUIQJSAVHQ-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one with MolForge

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Related Compounds

6-Hydroxy-2-isobutylsulfanyl-5-(4-methoxy-benzyl)-3H-pyrimidin-4-one
CID 846110
2-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]-6-hydroxy-3-(2-methylpropyl)pyrimidin-4-one
CID 135543429
1-Acetyl-6-hydroxy-5-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrimidin-4-one
CID 135427590
2-{[4,6-Dihydroxy-5-(4-methoxybenzyl)pyrimidin-2-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
CID 1161071
2-Methylsulfanyl-5-(4-propoxy-benzyl)-pyrimidine-4,6-diol
CID 2865016
8-(4-methoxyphenyl)-6-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
CID 3236202
2-ethylsulfanyl-9-methoxy-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one
CID 71583864
N,N-Diethyl-2-[4-hydroxy-5-(4-methoxy-benzyl)-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl]-acetamide
CID 1073977
N-tert-butyl-2-{[4-hydroxy-5-(4-methoxybenzyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 1073979
2-(4-Methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 5064375
8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135515094
3-allyl-2-(4-methoxybenzylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 46870295

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135403102) is 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is COc1ccc(Cc2c(O)nc3n(c2=O)CCCS3)cc1.
What is the InChIKey of 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is DQNXWUIQJSAVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-11-5-3-10(4-6-11)9-12-13(18)16-15-17(14(12)19)7-2-8-21-15/h3-6,18H,2,7-9H2,1H3.
What are the key properties of 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 304.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135403102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).