1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one

C15H22N4O3 — CID 46983590

IUPAC1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(=O)NCC2C)c(=O)n1
InChIInChI=1S/C15H22N4O3/c1-10-8-11(2)19(15(22)17-10)7-5-14(21)18-6-4-13(20)16-9-12(18)3/h8,12H,4-7,9H2,1-3H3,(H,16,20)
InChIKeyRIMLXLNYOJELJP-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.01
Rot. Bonds3

About 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one

1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one (PubChem CID 46983590) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
PubChem CID46983590
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(=O)NCC2C)c(=O)n1
InChIInChI=1S/C15H22N4O3/c1-10-8-11(2)19(15(22)17-10)7-5-14(21)18-6-4-13(20)16-9-12(18)3/h8,12H,4-7,9H2,1-3H3,(H,16,20)
InChIKeyRIMLXLNYOJELJP-UHFFFAOYSA-N
XLogP-0.01
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 46997998
1-[2-(1,4-Diazepan-1-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 54982161
N-[(1S*,2R*)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)acetamide
CID 56916116
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 61722761
4,6-Dimethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
CID 62543272
1-[2-[3-(Dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564321
2-Amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 81941419
6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 82509419
N-(3-aminopropyl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylacetamide
CID 84102650
1-[(6-Isobutyl-2-oxo-1,2-dihydropyrimidin-4-yl)carbonyl]-2-methyl-1,4-diazepan-5-one
CID 90651122

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one?
The IUPAC name of 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one (CID 46983590) is 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one?
The canonical SMILES for 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one is Cc1cc(C)n(CCC(=O)N2CCC(=O)NCC2C)c(=O)n1.
What is the InChIKey of 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one?
The InChIKey is RIMLXLNYOJELJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-8-11(2)19(15(22)17-10)7-5-14(21)18-6-4-13(20)16-9-12(18)3/h8,12H,4-7,9H2,1-3H3,(H,16,20).
What are the key properties of 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one?
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one has a molecular weight of 306.37 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-2-methyl-1,4-diazepan-5-one is sourced from PubChem (CID 46983590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).