N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C15H16N4O2S — CID 170324271

IUPACN-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESO=S1(=O)Cc2ccc(Nc3ncc4c(n3)CNCC4)cc2C1
InChIInChI=1S/C15H16N4O2S/c20-22(21)8-11-1-2-13(5-12(11)9-22)18-15-17-6-10-3-4-16-7-14(10)19-15/h1-2,5-6,16H,3-4,7-9H2,(H,17,18,19)
InChIKeyXHMPENLHPBQBAA-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.29
Rot. Bonds2

About N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324271) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324271
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESO=S1(=O)Cc2ccc(Nc3ncc4c(n3)CNCC4)cc2C1
InChIInChI=1S/C15H16N4O2S/c20-22(21)8-11-1-2-13(5-12(11)9-22)18-15-17-6-10-3-4-16-7-14(10)19-15/h1-2,5-6,16H,3-4,7-9H2,(H,17,18,19)
InChIKeyXHMPENLHPBQBAA-UHFFFAOYSA-N
XLogP1.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 170324271) is N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is O=S1(=O)Cc2ccc(Nc3ncc4c(n3)CNCC4)cc2C1.
What is the InChIKey of N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is XHMPENLHPBQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-22(21)8-11-1-2-13(5-12(11)9-22)18-15-17-6-10-3-4-16-7-14(10)19-15/h1-2,5-6,16H,3-4,7-9H2,(H,17,18,19).
What are the key properties of N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 316.39 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).