2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one

C6H8N4OS — CID 15121587

IUPAC2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NCCS2
InChIInChI=1S/C6H8N4OS/c7-6-9-4(11)3-5(10-6)12-2-1-8-3/h8H,1-2H2,(H3,7,9,10,11)
InChIKeyRWOIJJABCIICLS-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.13
Rot. Bonds

About 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one

2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one (PubChem CID 15121587) has the molecular formula C6H8N4OS and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one.

Molecular Properties

Compound Name2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one
PubChem CID15121587
Molecular FormulaC6H8N4OS
Molecular Weight184.22 g/mol
Exact Mass184.04
IUPAC Name2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NCCS2
InChIInChI=1S/C6H8N4OS/c7-6-9-4(11)3-5(10-6)12-2-1-8-3/h8H,1-2H2,(H3,7,9,10,11)
InChIKeyRWOIJJABCIICLS-UHFFFAOYSA-N
XLogP-0.13
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one?
The IUPAC name of 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one (CID 15121587) is 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one.
What is the SMILES notation for 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one?
The canonical SMILES for 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one is Nc1nc2c(c(=O)[nH]1)NCCS2.
What is the InChIKey of 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one?
The InChIKey is RWOIJJABCIICLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS/c7-6-9-4(11)3-5(10-6)12-2-1-8-3/h8H,1-2H2,(H3,7,9,10,11).
What are the key properties of 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one?
2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one has a molecular weight of 184.22 g/mol, XLogP of -0.13, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,6,7-tetrahydropyrimido[4,5-b][1,4]thiazin-4-one is sourced from PubChem (CID 15121587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).