3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide

C18H30N4O3 — CID 46990800

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCOCCCN1CCC(CNC(=O)CCn2c(C)cc(C)nc2=O)C1
InChIInChI=1S/C18H30N4O3/c1-14-11-15(2)22(18(24)20-14)9-6-17(23)19-12-16-5-8-21(13-16)7-4-10-25-3/h11,16H,4-10,12-13H2,1-3H3,(H,19,23)
InChIKeyOFQLKYCCANVHNX-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.72
Rot. Bonds9

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 46990800) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID46990800
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCOCCCN1CCC(CNC(=O)CCn2c(C)cc(C)nc2=O)C1
InChIInChI=1S/C18H30N4O3/c1-14-11-15(2)22(18(24)20-14)9-6-17(23)19-12-16-5-8-21(13-16)7-4-10-25-3/h11,16H,4-10,12-13H2,1-3H3,(H,19,23)
InChIKeyOFQLKYCCANVHNX-UHFFFAOYSA-N
XLogP0.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.72
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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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide (CID 46990800) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide is COCCCN1CCC(CNC(=O)CCn2c(C)cc(C)nc2=O)C1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is OFQLKYCCANVHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-14-11-15(2)22(18(24)20-14)9-6-17(23)19-12-16-5-8-21(13-16)7-4-10-25-3/h11,16H,4-10,12-13H2,1-3H3,(H,19,23).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 350.46 g/mol, XLogP of 0.72, 9 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-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 46990800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).