2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C19H19N3OS — CID 135777152

IUPAC2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(C2=CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C19H19N3OS/c1-13-2-4-14(5-3-13)15-6-9-22(10-7-15)12-17-20-16-8-11-24-18(16)19(23)21-17/h2-6,8,11H,7,9-10,12H2,1H3,(H,20,21,23)
InChIKeyVYRQCBXSRMTILY-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.58
Rot. Bonds3

About 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135777152) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135777152
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(C2=CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C19H19N3OS/c1-13-2-4-14(5-3-13)15-6-9-22(10-7-15)12-17-20-16-8-11-24-18(16)19(23)21-17/h2-6,8,11H,7,9-10,12H2,1H3,(H,20,21,23)
InChIKeyVYRQCBXSRMTILY-UHFFFAOYSA-N
XLogP3.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135777152) is 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccc(C2=CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VYRQCBXSRMTILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-2-4-14(5-3-13)15-6-9-22(10-7-15)12-17-20-16-8-11-24-18(16)19(23)21-17/h2-6,8,11H,7,9-10,12H2,1H3,(H,20,21,23).
What are the key properties of 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 337.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135777152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).