N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

C15H20N6O2S — CID 86931052

IUPACN-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C15H20N6O2S/c1-16-15(23)19-12(22)2-4-20-5-7-21(8-6-20)13-11-3-9-24-14(11)18-10-17-13/h3,9-10H,2,4-8H2,1H3,(H2,16,19,22,23)
InChIKeyJLXRRFALRLGBGC-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.66
Rot. Bonds4

About N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide (PubChem CID 86931052) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
PubChem CID86931052
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C15H20N6O2S/c1-16-15(23)19-12(22)2-4-20-5-7-21(8-6-20)13-11-3-9-24-14(11)18-10-17-13/h3,9-10H,2,4-8H2,1H3,(H2,16,19,22,23)
InChIKeyJLXRRFALRLGBGC-UHFFFAOYSA-N
XLogP0.66
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide (CID 86931052) is N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide is CNC(=O)NC(=O)CCN1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
The InChIKey is JLXRRFALRLGBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-16-15(23)19-12(22)2-4-20-5-7-21(8-6-20)13-11-3-9-24-14(11)18-10-17-13/h3,9-10H,2,4-8H2,1H3,(H2,16,19,22,23).
What are the key properties of N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide has a molecular weight of 348.43 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 86931052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).