4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine

C14H23N5O2S — CID 133135411

IUPAC4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine
SMILESCCCN(C)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1
InChIInChI=1S/C14H23N5O2S/c1-3-7-18(2)14-16-5-4-13(17-14)19-8-6-15-11-9-22(20,21)10-12(11)19/h4-5,11-12,15H,3,6-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyUREUKZLKECWSGM-NEPJUHHUSA-N
MW325.44 g/mol
LogP-0.10
Rot. Bonds4

About 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine

4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine (PubChem CID 133135411) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine
PubChem CID133135411
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine
SMILESCCCN(C)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1
InChIInChI=1S/C14H23N5O2S/c1-3-7-18(2)14-16-5-4-13(17-14)19-8-6-15-11-9-22(20,21)10-12(11)19/h4-5,11-12,15H,3,6-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyUREUKZLKECWSGM-NEPJUHHUSA-N
XLogP-0.10
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-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 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine (CID 133135411) is 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine is CCCN(C)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1.
What is the InChIKey of 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine?
The InChIKey is UREUKZLKECWSGM-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-3-7-18(2)14-16-5-4-13(17-14)19-8-6-15-11-9-22(20,21)10-12(11)19/h4-5,11-12,15H,3,6-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine?
4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine has a molecular weight of 325.44 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl]-N-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 133135411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).