N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide

C16H26N4O3 — CID 137025280

IUPACN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide
SMILESCCCOCC1CCN(C(=O)NCCc2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C16H26N4O3/c1-3-8-23-11-13-5-7-20(10-13)16(22)17-6-4-14-18-12(2)9-15(21)19-14/h9,13H,3-8,10-11H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyOFNGVTATTCMNTG-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.08
Rot. Bonds7

About N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 137025280) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide
PubChem CID137025280
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide
SMILESCCCOCC1CCN(C(=O)NCCc2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C16H26N4O3/c1-3-8-23-11-13-5-7-20(10-13)16(22)17-6-4-14-18-12(2)9-15(21)19-14/h9,13H,3-8,10-11H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyOFNGVTATTCMNTG-UHFFFAOYSA-N
XLogP1.08
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
(3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide
CID 137065762
2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide
CID 137150789
(3R)-N-(furan-3-ylmethyl)-3-(propoxymethyl)pyrrolidine-1-carboxamide
CID 126449674
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 131938332
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 135990316
(5-methyl-1-propylpyrazol-4-yl)-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 72881839
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide
CID 136993210
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861496
(3R)-2-ethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136756274
3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
CID 72913220

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide (CID 137025280) is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide is CCCOCC1CCN(C(=O)NCCc2nc(C)cc(=O)[nH]2)C1.
What is the InChIKey of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is OFNGVTATTCMNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-8-23-11-13-5-7-20(10-13)16(22)17-6-4-14-18-12(2)9-15(21)19-14/h9,13H,3-8,10-11H2,1-2H3,(H,17,22)(H,18,19,21).
What are the key properties of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide?
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 137025280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).