5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one

C16H16N2OS — CID 709146

IUPAC5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2scc(-c3ccc(C)cc3)c2c1=O
InChIInChI=1S/C16H16N2OS/c1-3-8-18-10-17-15-14(16(18)19)13(9-20-15)12-6-4-11(2)5-7-12/h4-7,9-10H,3,8H2,1-2H3
InChIKeyKBABMKGUAZSBSM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.84
Rot. Bonds3

About 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one

5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 709146) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID709146
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2scc(-c3ccc(C)cc3)c2c1=O
InChIInChI=1S/C16H16N2OS/c1-3-8-18-10-17-15-14(16(18)19)13(9-20-15)12-6-4-11(2)5-7-12/h4-7,9-10H,3,8H2,1-2H3
InChIKeyKBABMKGUAZSBSM-UHFFFAOYSA-N
XLogP3.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 731331
N-methyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 51274519
N-ethyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 17452209
N-butyl-N-methyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 30162950
butyl 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 7629225
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 134016515
N-methyl-N-(4-methylpentan-2-yl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 46580878
3-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7629149
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7629205
5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 7629248
3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 16619367
5-(3-nitrophenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 709174

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one (CID 709146) is 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one is CCCn1cnc2scc(-c3ccc(C)cc3)c2c1=O.
What is the InChIKey of 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KBABMKGUAZSBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-3-8-18-10-17-15-14(16(18)19)13(9-20-15)12-6-4-11(2)5-7-12/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 709146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).