N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

C17H27N5O3 — CID 56888439

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCc1cc(C)n(CCNC(=O)CC2C(=O)NCCN2C(C)C)c(=O)n1
InChIInChI=1S/C17H27N5O3/c1-11(2)21-7-6-19-16(24)14(21)10-15(23)18-5-8-22-13(4)9-12(3)20-17(22)25/h9,11,14H,5-8,10H2,1-4H3,(H,18,23)(H,19,24)
InChIKeyUSVZAILAIWNQPV-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.42
Rot. Bonds6

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (PubChem CID 56888439) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
PubChem CID56888439
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCc1cc(C)n(CCNC(=O)CC2C(=O)NCCN2C(C)C)c(=O)n1
InChIInChI=1S/C17H27N5O3/c1-11(2)21-7-6-19-16(24)14(21)10-15(23)18-5-8-22-13(4)9-12(3)20-17(22)25/h9,11,14H,5-8,10H2,1-4H3,(H,18,23)(H,19,24)
InChIKeyUSVZAILAIWNQPV-UHFFFAOYSA-N
XLogP-0.42
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide with MolForge

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Related Compounds

2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide
CID 121328473
4,6-Dimethyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 24699830
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]propanamide
CID 46989095
4-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]piperazine-1-carboxamide
CID 46990842
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]piperidine-3-carboxamide
CID 46995964
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 50978045
N-cyclohexyl-2-{[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]amino}butanamide
CID 50980300
(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 52396721
(3S)-1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 52396723
(4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-ethyl-L-prolinamide
CID 56706783
(4S)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-ethyl-L-prolinamide
CID 56708410

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (CID 56888439) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is Cc1cc(C)n(CCNC(=O)CC2C(=O)NCCN2C(C)C)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The InChIKey is USVZAILAIWNQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-11(2)21-7-6-19-16(24)14(21)10-15(23)18-5-8-22-13(4)9-12(3)20-17(22)25/h9,11,14H,5-8,10H2,1-4H3,(H,18,23)(H,19,24).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide has a molecular weight of 349.44 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 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]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is sourced from PubChem (CID 56888439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).