2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C15H18N6OS — CID 135990802

IUPAC2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(Cc1cc2n(n1)CCNC2)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C15H18N6OS/c1-20(8-10-6-11-7-16-3-4-21(11)19-10)9-13-17-12-2-5-23-14(12)15(22)18-13/h2,5-6,16H,3-4,7-9H2,1H3,(H,17,18,22)
InChIKeyGBZIGFNXQQFWIK-UHFFFAOYSA-N
MW330.42 g/mol
LogP0.92
Rot. Bonds4

About 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135990802) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135990802
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(Cc1cc2n(n1)CCNC2)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C15H18N6OS/c1-20(8-10-6-11-7-16-3-4-21(11)19-10)9-13-17-12-2-5-23-14(12)15(22)18-13/h2,5-6,16H,3-4,7-9H2,1H3,(H,17,18,22)
InChIKeyGBZIGFNXQQFWIK-UHFFFAOYSA-N
XLogP0.92
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135990802) is 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CN(Cc1cc2n(n1)CCNC2)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GBZIGFNXQQFWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-20(8-10-6-11-7-16-3-4-21(11)19-10)9-13-17-12-2-5-23-14(12)15(22)18-13/h2,5-6,16H,3-4,7-9H2,1H3,(H,17,18,22).
What are the key properties of 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 330.42 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135990802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).