7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one

C16H19N5OS — CID 139453911

IUPAC7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1C1Sc2c(nc(C3CC=CCN3)[nH]c2=O)C1C
InChIInChI=1S/C16H19N5OS/c1-8-12-14(23-13(8)10-7-18-21-9(10)2)16(22)20-15(19-12)11-5-3-4-6-17-11/h3-4,7-8,11,13,17H,5-6H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyRGZGBBIILKOABV-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.34
Rot. Bonds2

About 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one

7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 139453911) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID139453911
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1C1Sc2c(nc(C3CC=CCN3)[nH]c2=O)C1C
InChIInChI=1S/C16H19N5OS/c1-8-12-14(23-13(8)10-7-18-21-9(10)2)16(22)20-15(19-12)11-5-3-4-6-17-11/h3-4,7-8,11,13,17H,5-6H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyRGZGBBIILKOABV-UHFFFAOYSA-N
XLogP2.34
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one (CID 139453911) is 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one is Cc1[nH]ncc1C1Sc2c(nc(C3CC=CCN3)[nH]c2=O)C1C.
What is the InChIKey of 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is RGZGBBIILKOABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-8-12-14(23-13(8)10-7-18-21-9(10)2)16(22)20-15(19-12)11-5-3-4-6-17-11/h3-4,7-8,11,13,17H,5-6H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one?
7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 329.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 139453911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).