3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one

C16H18N4OS — CID 91667427

IUPAC3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(-c3cccnc3)csc2c1=O
InChIInChI=1S/C16H18N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-6-5-7-17-8-11/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyTZXUAKHZPAHOMA-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.36
Rot. Bonds4

About 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one

3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one (PubChem CID 91667427) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one
PubChem CID91667427
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(-c3cccnc3)csc2c1=O
InChIInChI=1S/C16H18N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-6-5-7-17-8-11/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyTZXUAKHZPAHOMA-UHFFFAOYSA-N
XLogP3.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzothienopyrimidinone deriv., 16a
CID 135927963
5-(4-Methylphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585405
2-amino-6-ethyl-5-(4-pyridylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221347
2-(Cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one
CID 118720007
Methyl 3-[3-ethyl-2-[(3-fluoro-4-pyridinyl)amino]-4-oxothieno[3,2-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 118724093
1-[3-[3-Ethyl-2-[(3-fluoro-4-pyridinyl)amino]-4-oxothieno[3,2-d]pyrimidin-7-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118724095
6-methyl-5-phenyl-2-(pyridin-3-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 852962
2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481
4-methyl-2-oxo-N-pyridin-2-yl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 24818019
2-(butanoylamino)-N-(pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3153379
6-Methyl-5-phenyl-2-(pyridin-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 852961

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one (CID 91667427) is 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one is CCn1c(NC(C)C)nc2c(-c3cccnc3)csc2c1=O.
What is the InChIKey of 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is TZXUAKHZPAHOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-6-5-7-17-8-11/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 314.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(propan-2-ylamino)-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 91667427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).