1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione

C6H3N3O2S — CID 175871069

IUPAC1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione
SMILESO=c1[nH]c2ncncc2c(=O)s1
InChIInChI=1S/C6H3N3O2S/c10-5-3-1-7-2-8-4(3)9-6(11)12-5/h1-2H,(H,7,8,9,11)
InChIKeyWEPNNYGAROZHIS-UHFFFAOYSA-N
MW181.18 g/mol
LogP-0.26
Rot. Bonds

About 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione

1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione (PubChem CID 175871069) has the molecular formula C6H3N3O2S and a molecular weight of 181.18 g/mol. Its IUPAC name is 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione.

Molecular Properties

Compound Name1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione
PubChem CID175871069
Molecular FormulaC6H3N3O2S
Molecular Weight181.18 g/mol
Exact Mass180.99
IUPAC Name1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione
SMILESO=c1[nH]c2ncncc2c(=O)s1
InChIInChI=1S/C6H3N3O2S/c10-5-3-1-7-2-8-4(3)9-6(11)12-5/h1-2H,(H,7,8,9,11)
InChIKeyWEPNNYGAROZHIS-UHFFFAOYSA-N
XLogP-0.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 82375433
2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 143285060
5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 126970379
N,N-dimethyl-1-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine
CID 53364059
4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
CID 162388606
2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine
CID 142470448
5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one
CID 131845643
5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 130232038
5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3,4-thiadiazol-2-amine
CID 135985614
5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid
CID 82400624
7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 19431529
1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 45080232

Frequently Asked Questions

What is the IUPAC name of 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione?
The IUPAC name of 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione (CID 175871069) is 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione.
What is the SMILES notation for 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione?
The canonical SMILES for 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione is O=c1[nH]c2ncncc2c(=O)s1.
What is the InChIKey of 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione?
The InChIKey is WEPNNYGAROZHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O2S/c10-5-3-1-7-2-8-4(3)9-6(11)12-5/h1-2H,(H,7,8,9,11).
What are the key properties of 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione?
1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione has a molecular weight of 181.18 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione is sourced from PubChem (CID 175871069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).