N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H18N4O2S2 — CID 102886375

IUPACN-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCS(=O)(=O)CC2C)nc2sccc12
InChIInChI=1S/C13H18N4O2S2/c1-9-8-21(18,19)6-4-17(9)7-11-15-12(14-2)10-3-5-20-13(10)16-11/h3,5,9H,4,6-8H2,1-2H3,(H,14,15,16)
InChIKeySCGPYZBKBSMCPV-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 102886375) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID102886375
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCS(=O)(=O)CC2C)nc2sccc12
InChIInChI=1S/C13H18N4O2S2/c1-9-8-21(18,19)6-4-17(9)7-11-15-12(14-2)10-3-5-20-13(10)16-11/h3,5,9H,4,6-8H2,1-2H3,(H,14,15,16)
InChIKeySCGPYZBKBSMCPV-UHFFFAOYSA-N
XLogP1.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 102886375) is N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN2CCS(=O)(=O)CC2C)nc2sccc12.
What is the InChIKey of N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SCGPYZBKBSMCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-8-21(18,19)6-4-17(9)7-11-15-12(14-2)10-3-5-20-13(10)16-11/h3,5,9H,4,6-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 102886375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).