N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide

C12H17N3O3 — CID 121121018

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide
SMILESCc1cncn(CCNC(=O)C2CCCO2)c1=O
InChIInChI=1S/C12H17N3O3/c1-9-7-13-8-15(12(9)17)5-4-14-11(16)10-3-2-6-18-10/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyLQHNBUIYUVGNIG-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.15
Rot. Bonds4

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide (PubChem CID 121121018) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide
PubChem CID121121018
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide
SMILESCc1cncn(CCNC(=O)C2CCCO2)c1=O
InChIInChI=1S/C12H17N3O3/c1-9-7-13-8-15(12(9)17)5-4-14-11(16)10-3-2-6-18-10/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyLQHNBUIYUVGNIG-UHFFFAOYSA-N
XLogP-0.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide
CID 121121015
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide
CID 121121063
(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide
CID 29214742
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121121180
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115
(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 94119495
(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
CID 35284693
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 121121293
N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide
CID 110242829
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 82121626
(2R)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 124815610
1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121388

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide (CID 121121018) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide is Cc1cncn(CCNC(=O)C2CCCO2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is LQHNBUIYUVGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-7-13-8-15(12(9)17)5-4-14-11(16)10-3-2-6-18-10/h7-8,10H,2-6H2,1H3,(H,14,16).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121121018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).