3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide

C16H26N4O3 — CID 46991422

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCCCN2CCOCC2)c(=O)n1
InChIInChI=1S/C16H26N4O3/c1-13-12-14(2)20(16(22)18-13)7-4-15(21)17-5-3-6-19-8-10-23-11-9-19/h12H,3-11H2,1-2H3,(H,17,21)
InChIKeyZSEPKZXVQRGWJN-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.09
Rot. Bonds7

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 46991422) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID46991422
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCCCN2CCOCC2)c(=O)n1
InChIInChI=1S/C16H26N4O3/c1-13-12-14(2)20(16(22)18-13)7-4-15(21)17-5-3-6-19-8-10-23-11-9-19/h12H,3-11H2,1-2H3,(H,17,21)
InChIKeyZSEPKZXVQRGWJN-UHFFFAOYSA-N
XLogP0.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-isobutyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 131899166
1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-(2-methoxy-1-methylethyl)piperidine-4-carboxamide
CID 46992593
(6-Methyl-1,2-dihydropyrimidin-4-yl)-morpholin-4-ylmethanone
CID 118486711
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 46986495
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]propanamide
CID 46989095
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391730
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391731
4,6-dimethyl-1-{2-[(1-methyl-2-morpholin-4-ylethyl)amino]ethyl}pyrimidin-2(1H)-one
CID 56702783
4,6-Dimethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
CID 62543272
1-[3-(2-Methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one
CID 62564669
4,6-Dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one
CID 64533446
6-isobutyl-4-{[3-(morpholin-4-ylmethyl)piperidin-1-yl]carbonyl}pyrimidin-2(1H)-one
CID 86284160

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide (CID 46991422) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide is Cc1cc(C)n(CCC(=O)NCCCN2CCOCC2)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is ZSEPKZXVQRGWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-13-12-14(2)20(16(22)18-13)7-4-15(21)17-5-3-6-19-8-10-23-11-9-19/h12H,3-11H2,1-2H3,(H,17,21).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 46991422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).