N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

C14H19ClN4O2S — CID 119554425

IUPACN-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCn1cnc2sccc2c1=O)C1CCNC1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-17(10-2-5-15-8-10)12(19)3-6-18-9-16-13-11(14(18)20)4-7-21-13;/h4,7,9-10,15H,2-3,5-6,8H2,1H3;1H
InChIKeyUDCXVPSVFPNLBQ-UHFFFAOYSA-N
MW342.85 g/mol
LogP1.09
Rot. Bonds4

About N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119554425) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119554425
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC NameN-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCn1cnc2sccc2c1=O)C1CCNC1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-17(10-2-5-15-8-10)12(19)3-6-18-9-16-13-11(14(18)20)4-7-21-13;/h4,7,9-10,15H,2-3,5-6,8H2,1H3;1H
InChIKeyUDCXVPSVFPNLBQ-UHFFFAOYSA-N
XLogP1.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532930
N-methyl-N-(2-methylcyclohexyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 134020391
N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 120557891
N-methyl-3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide
CID 119552100
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464279
N-(2-hydroxyethyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 110886024
N-(1-aminopropan-2-yl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 119584978
3-(3-oxo-3-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 62047764
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55595128
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119549909
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 120741199
N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111695480

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119554425) is N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is CN(C(=O)CCn1cnc2sccc2c1=O)C1CCNC1.Cl.
What is the InChIKey of N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is UDCXVPSVFPNLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S.ClH/c1-17(10-2-5-15-8-10)12(19)3-6-18-9-16-13-11(14(18)20)4-7-21-13;/h4,7,9-10,15H,2-3,5-6,8H2,1H3;1H.
What are the key properties of N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 342.85 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119554425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).