N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide

C14H21N3O3 — CID 58196295

IUPACN-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1ccn([C@@H]2OC(C)[C@@H](C)[C@@H]2C)c(=O)n1
InChIInChI=1S/C14H21N3O3/c1-5-12(18)15-11-6-7-17(14(19)16-11)13-9(3)8(2)10(4)20-13/h6-10,13H,5H2,1-4H3,(H,15,16,18,19)/t8-,9-,10?,13+/m0/s1
InChIKeyRODUTIFDXHWIRN-YAOQKZSNSA-N
MW279.34 g/mol
LogP1.78
Rot. Bonds3

About N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide

N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide (PubChem CID 58196295) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide
PubChem CID58196295
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1ccn([C@@H]2OC(C)[C@@H](C)[C@@H]2C)c(=O)n1
InChIInChI=1S/C14H21N3O3/c1-5-12(18)15-11-6-7-17(14(19)16-11)13-9(3)8(2)10(4)20-13/h6-10,13H,5H2,1-4H3,(H,15,16,18,19)/t8-,9-,10?,13+/m0/s1
InChIKeyRODUTIFDXHWIRN-YAOQKZSNSA-N
XLogP1.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide with MolForge

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Related Compounds

(2S,3S,4S,5R)-3,4-dimethyl-5-[2-oxo-4-(propanoylamino)pyrimidin-1-yl]oxolane-2-carboxylic acid
CID 58196153
[(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(propanoylamino)pyrimidin-1-yl]-4-propanoyloxyoxolan-3-yl] propanoate
CID 54357804
N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide
CID 22593593
N-[1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 130474505
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentanamide
CID 12773994
N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide
CID 162940499
N-[1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]octanamide
CID 46832253
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 101114239
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]decanamide
CID 132572697
N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]nonadecanamide
CID 12851376
N-[1-[(2R,3S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 130467437
N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide
CID 162814098

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide?
The IUPAC name of N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide (CID 58196295) is N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide.
What is the SMILES notation for N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide?
The canonical SMILES for N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide is CCC(=O)Nc1ccn([C@@H]2OC(C)[C@@H](C)[C@@H]2C)c(=O)n1.
What is the InChIKey of N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide?
The InChIKey is RODUTIFDXHWIRN-YAOQKZSNSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-12(18)15-11-6-7-17(14(19)16-11)13-9(3)8(2)10(4)20-13/h6-10,13H,5H2,1-4H3,(H,15,16,18,19)/t8-,9-,10?,13+/m0/s1.
What are the key properties of N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide?
N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 58196295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).