N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C14H17N3O3S — CID 53498479

IUPACN-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCC1CCOC1
InChIInChI=1S/C14H17N3O3S/c18-12(15-7-10-2-5-20-8-10)1-4-17-9-16-13-11(14(17)19)3-6-21-13/h3,6,9-10H,1-2,4-5,7-8H2,(H,15,18)
InChIKeyYUSVZTHQGDFZCT-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.00
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 53498479) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID53498479
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCC1CCOC1
InChIInChI=1S/C14H17N3O3S/c18-12(15-7-10-2-5-20-8-10)1-4-17-9-16-13-11(14(17)19)3-6-21-13/h3,6,9-10H,1-2,4-5,7-8H2,(H,15,18)
InChIKeyYUSVZTHQGDFZCT-UHFFFAOYSA-N
XLogP1.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 53498479) is N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is O=C(CCn1cnc2sccc2c1=O)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is YUSVZTHQGDFZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-12(15-7-10-2-5-20-8-10)1-4-17-9-16-13-11(14(17)19)3-6-21-13/h3,6,9-10H,1-2,4-5,7-8H2,(H,15,18).
What are the key properties of N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 307.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 53498479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).