5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione

C8H15N3O2 — CID 135127054

IUPAC5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione
SMILESCC(N)CC1CN(C)C(=O)NC1=O
InChIInChI=1S/C8H15N3O2/c1-5(9)3-6-4-11(2)8(13)10-7(6)12/h5-6H,3-4,9H2,1-2H3,(H,10,12,13)
InChIKeyOPKLSFQNXRSSFH-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.48
Rot. Bonds2

About 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione

5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 135127054) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione
PubChem CID135127054
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione
SMILESCC(N)CC1CN(C)C(=O)NC1=O
InChIInChI=1S/C8H15N3O2/c1-5(9)3-6-4-11(2)8(13)10-7(6)12/h5-6H,3-4,9H2,1-2H3,(H,10,12,13)
InChIKeyOPKLSFQNXRSSFH-UHFFFAOYSA-N
XLogP-0.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
5-iodo-1-methyl-1,3-diazinane-2,4-dione
CID 78200114
1-(1-methyl-5-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 82277241
(2S)-2-amino-3-[(4R)-1-methyl-3-oxopyrazolidin-4-yl]propanamide
CID 166466453
(2S)-2-amino-3-(1-methyl-3-oxopyrazolidin-4-yl)propanamide;hydrochloride
CID 166466558
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
3-cyclopropyl-1-methyl-4-propan-2-ylimidazolidin-2-one
CID 175563983
2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
CID 135273269
(2S)-2-amino-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 166466460
1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione
CID 63251727
4-(2-aminopropyl)piperazine-2,6-dione
CID 102689066
1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione
CID 30813187

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione (CID 135127054) is 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione is CC(N)CC1CN(C)C(=O)NC1=O.
What is the InChIKey of 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is OPKLSFQNXRSSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(9)3-6-4-11(2)8(13)10-7(6)12/h5-6H,3-4,9H2,1-2H3,(H,10,12,13).
What are the key properties of 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione?
5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 185.23 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 135127054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).