2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine

C10H11ClN6OS — CID 12816997

IUPAC2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine
SMILESNc1ncnc2c(N3CCS(=O)CC3)nc(Cl)nc12
InChIInChI=1S/C10H11ClN6OS/c11-10-15-6-7(13-5-14-8(6)12)9(16-10)17-1-3-19(18)4-2-17/h5H,1-4H2,(H2,12,13,14)
InChIKeyHJBHJSQWKRDWNG-UHFFFAOYSA-N
MW298.76 g/mol
LogP0.22
Rot. Bonds1

About 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine

2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine (PubChem CID 12816997) has the molecular formula C10H11ClN6OS and a molecular weight of 298.76 g/mol. Its IUPAC name is 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine.

Molecular Properties

Compound Name2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine
PubChem CID12816997
Molecular FormulaC10H11ClN6OS
Molecular Weight298.76 g/mol
Exact Mass298.04
IUPAC Name2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine
SMILESNc1ncnc2c(N3CCS(=O)CC3)nc(Cl)nc12
InChIInChI=1S/C10H11ClN6OS/c11-10-15-6-7(13-5-14-8(6)12)9(16-10)17-1-3-19(18)4-2-17/h5H,1-4H2,(H2,12,13,14)
InChIKeyHJBHJSQWKRDWNG-UHFFFAOYSA-N
XLogP0.22
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine?
The IUPAC name of 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine (CID 12816997) is 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine.
What is the SMILES notation for 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine?
The canonical SMILES for 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine is Nc1ncnc2c(N3CCS(=O)CC3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine?
The InChIKey is HJBHJSQWKRDWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6OS/c11-10-15-6-7(13-5-14-8(6)12)9(16-10)17-1-3-19(18)4-2-17/h5H,1-4H2,(H2,12,13,14).
What are the key properties of 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine?
2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine has a molecular weight of 298.76 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine is sourced from PubChem (CID 12816997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).