2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

C14H15N3OS — CID 136779495

IUPAC2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCCc1ccccc1Nc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C14H15N3OS/c1-2-9-5-3-4-6-11(9)15-14-16-12-8-19-7-10(12)13(18)17-14/h3-6H,2,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyBSCYCFWWZJNASR-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.82
Rot. Bonds3

About 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 136779495) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID136779495
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCCc1ccccc1Nc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C14H15N3OS/c1-2-9-5-3-4-6-11(9)15-14-16-12-8-19-7-10(12)13(18)17-14/h3-6H,2,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyBSCYCFWWZJNASR-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluoroanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779279
propyl 4-[(4-oxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-2-yl)amino]benzoate
CID 136778723
methyl 4-[(4-oxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-2-yl)amino]benzoate
CID 136778871
2-[(2-chlorophenyl)methylsulfanyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136683788
2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136780325
N-(2-fluorophenyl)-2-[(4-oxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-2-yl)sulfanyl]butanamide
CID 136684039
2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200586
3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779508
2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611977
2-(2-methoxyanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965781
2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611951
3-(2-ethylanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135721958

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 136779495) is 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is CCc1ccccc1Nc1nc2c(c(=O)[nH]1)CSC2.
What is the InChIKey of 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is BSCYCFWWZJNASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-2-9-5-3-4-6-11(9)15-14-16-12-8-19-7-10(12)13(18)17-14/h3-6H,2,7-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 273.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136779495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).