N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide

C16H26N4O3 — CID 91844057

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide
SMILESCc1cc(C)n(CCNC(=O)CC(C)N2CCOCC2)c(=O)n1
InChIInChI=1S/C16H26N4O3/c1-12-10-14(3)20(16(22)18-12)5-4-17-15(21)11-13(2)19-6-8-23-9-7-19/h10,13H,4-9,11H2,1-3H3,(H,17,21)
InChIKeyPLTGVTNIIIPPTL-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.09
Rot. Bonds6

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide (PubChem CID 91844057) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide
PubChem CID91844057
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide
SMILESCc1cc(C)n(CCNC(=O)CC(C)N2CCOCC2)c(=O)n1
InChIInChI=1S/C16H26N4O3/c1-12-10-14(3)20(16(22)18-12)5-4-17-15(21)11-13(2)19-6-8-23-9-7-19/h10,13H,4-9,11H2,1-3H3,(H,17,21)
InChIKeyPLTGVTNIIIPPTL-UHFFFAOYSA-N
XLogP0.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

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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
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide
CID 56888439
(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
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 46991422
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
6-isobutyl-2-oxo-N-[(3R*,4R*)-4-piperidin-1-yltetrahydrofuran-3-yl]-1,2-dihydropyrimidine-4-carboxamide
CID 91781746

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide (CID 91844057) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide is Cc1cc(C)n(CCNC(=O)CC(C)N2CCOCC2)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide?
The InChIKey is PLTGVTNIIIPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12-10-14(3)20(16(22)18-12)5-4-17-15(21)11-13(2)19-6-8-23-9-7-19/h10,13H,4-9,11H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide has a molecular weight of 322.41 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-morpholin-4-ylbutanamide is sourced from PubChem (CID 91844057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).