2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine

C7H8N4S — CID 20745814

IUPAC2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine
SMILESCC1=NCc2c(N)ncnc2S1
InChIInChI=1S/C7H8N4S/c1-4-9-2-5-6(8)10-3-11-7(5)12-4/h3H,2H2,1H3,(H2,8,10,11)
InChIKeyTWBRFGKKBVUGIS-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.08
Rot. Bonds

About 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine

2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine (PubChem CID 20745814) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine.

Molecular Properties

Compound Name2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine
PubChem CID20745814
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine
SMILESCC1=NCc2c(N)ncnc2S1
InChIInChI=1S/C7H8N4S/c1-4-9-2-5-6(8)10-3-11-7(5)12-4/h3H,2H2,1H3,(H2,8,10,11)
InChIKeyTWBRFGKKBVUGIS-UHFFFAOYSA-N
XLogP1.08
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine?
The IUPAC name of 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine (CID 20745814) is 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine.
What is the SMILES notation for 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine?
The canonical SMILES for 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine is CC1=NCc2c(N)ncnc2S1.
What is the InChIKey of 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine?
The InChIKey is TWBRFGKKBVUGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-4-9-2-5-6(8)10-3-11-7(5)12-4/h3H,2H2,1H3,(H2,8,10,11).
What are the key properties of 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine?
2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine has a molecular weight of 180.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine is sourced from PubChem (CID 20745814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).