N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C14H17N3O3S — CID 35236684

IUPACN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2sccc2c1=O)[C@H]1CCCO1
InChIInChI=1S/C14H17N3O3S/c1-9(11-3-2-5-20-11)16-12(18)7-17-8-15-13-10(14(17)19)4-6-21-13/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,16,18)/t9-,11-/m1/s1
InChIKeyTYRCVKPTFMAEEJ-MWLCHTKSSA-N
MW307.38 g/mol
LogP1.14
Rot. Bonds4

About N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 35236684) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID35236684
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2sccc2c1=O)[C@H]1CCCO1
InChIInChI=1S/C14H17N3O3S/c1-9(11-3-2-5-20-11)16-12(18)7-17-8-15-13-10(14(17)19)4-6-21-13/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,16,18)/t9-,11-/m1/s1
InChIKeyTYRCVKPTFMAEEJ-MWLCHTKSSA-N
XLogP1.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236674
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 35249585
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40898847
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35246602
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 104927943
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51589771
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51589770
(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 80749574
(2S)-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoic acid
CID 107564302
N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 47010073
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35266239

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 35236684) is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)[C@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is TYRCVKPTFMAEEJ-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9(11-3-2-5-20-11)16-12(18)7-17-8-15-13-10(14(17)19)4-6-21-13/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,16,18)/t9-,11-/m1/s1.
What are the key properties of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 35236684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).