3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one

C11H15N3OS — CID 118729736

IUPAC3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2ccsc2c1=O
InChIInChI=1S/C11H15N3OS/c1-4-14-10(15)9-8(5-6-16-9)13-11(14)12-7(2)3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyIOVYDCDLLPOVTN-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.30
Rot. Bonds3

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

3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729736) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729736
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2ccsc2c1=O
InChIInChI=1S/C11H15N3OS/c1-4-14-10(15)9-8(5-6-16-9)13-11(14)12-7(2)3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyIOVYDCDLLPOVTN-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
2-(Cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one
CID 86280445
2-(Cyclopentylamino)-3-Ethyl-7-Ethynylthieno[3,2-D]pyrimidin-4(3h)-One
CID 118719996
Ethyl 4-[2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-D]pyrimidin-3(4H)-YL]tetrahydro-1(2H)-pyridinecarboxylate
CID 9550584
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
2-(Cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 118719994
2-(Cyclopentylamino)-7-ethenyl-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719995
2-(Cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
CID 118719997
2-Anilino-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118724077
3-Ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one
CID 118724083
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (CID 118729736) is 3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC(C)C)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IOVYDCDLLPOVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-4-14-10(15)9-8(5-6-16-9)13-11(14)12-7(2)3/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of 3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 237.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).