6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

C13H13N3O2S — CID 104609529

IUPAC6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESO=S1(=O)CCc2nc(Nc3ccccc3)ncc2C1
InChIInChI=1S/C13H13N3O2S/c17-19(18)7-6-12-10(9-19)8-14-13(16-12)15-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H,14,15,16)
InChIKeyRDRAXITYGCKINC-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.69
Rot. Bonds2

About 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (PubChem CID 104609529) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
PubChem CID104609529
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESO=S1(=O)CCc2nc(Nc3ccccc3)ncc2C1
InChIInChI=1S/C13H13N3O2S/c17-19(18)7-6-12-10(9-19)8-14-13(16-12)15-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H,14,15,16)
InChIKeyRDRAXITYGCKINC-UHFFFAOYSA-N
XLogP1.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 51371057
6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 63548744
6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 104609487
N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324271
4-N-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-7-yl)-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 58217538
tert-butyl 2-anilino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 45106267
2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
CID 90878069
6-[(3,4-dimethylphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960619
6-[(3-chlorophenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46346006
2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 18375160
1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141212767
6-[(3-ethoxyphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960622

Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (CID 104609529) is 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is O=S1(=O)CCc2nc(Nc3ccccc3)ncc2C1.
What is the InChIKey of 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is RDRAXITYGCKINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-19(18)7-6-12-10(9-19)8-14-13(16-12)15-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H,14,15,16).
What are the key properties of 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 275.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 104609529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).