2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one

C14H13N3OS — CID 118724077

IUPAC2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2ccccc2)nc2ccsc2c1=O
InChIInChI=1S/C14H13N3OS/c1-2-17-13(18)12-11(8-9-19-12)16-14(17)15-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,16)
InChIKeyHBBNMYZHYPBILK-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.22
Rot. Bonds3

About 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one

2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118724077) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one
PubChem CID118724077
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2ccccc2)nc2ccsc2c1=O
InChIInChI=1S/C14H13N3OS/c1-2-17-13(18)12-11(8-9-19-12)16-14(17)15-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,16)
InChIKeyHBBNMYZHYPBILK-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155516399
2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 6460856
2-(4-Oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 16279645
2-(phenylamino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3239546
2-(Methyl(phenyl)amino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3243363
6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004607
2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 1478348
3-Butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 3239592
4-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-fluorophenyl)butanamide
CID 4583348
1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 5096356
2-(2,4-dioxo-3-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)-N,N-diethylacetamide
CID 6619340
2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 8899214

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one (CID 118724077) is 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one is CCn1c(Nc2ccccc2)nc2ccsc2c1=O.
What is the InChIKey of 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is HBBNMYZHYPBILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-17-13(18)12-11(8-9-19-12)16-14(17)15-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one?
2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 271.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-ethylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118724077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).