N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C14H17N3O3S — CID 103280683

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCC1CCC(O)C1
InChIInChI=1S/C14H17N3O3S/c18-10-2-1-9(5-10)6-15-12(19)7-17-8-16-13-11(14(17)20)3-4-21-13/h3-4,8-10,18H,1-2,5-7H2,(H,15,19)
InChIKeyGVSUILKWGGNFCV-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.74
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 103280683) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID103280683
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCC1CCC(O)C1
InChIInChI=1S/C14H17N3O3S/c18-10-2-1-9(5-10)6-15-12(19)7-17-8-16-13-11(14(17)20)3-4-21-13/h3-4,8-10,18H,1-2,5-7H2,(H,15,19)
InChIKeyGVSUILKWGGNFCV-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111460304
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 104927943
3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 55131726
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 115668775
N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 53498479
2-(benzimidazol-1-yl)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103279825
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 94632810
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464279
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236684

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 103280683) is N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is GVSUILKWGGNFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-10-2-1-9(5-10)6-15-12(19)7-17-8-16-13-11(14(17)20)3-4-21-13/h3-4,8-10,18H,1-2,5-7H2,(H,15,19).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 103280683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).