1-propyl-1,3-diazinane-2,4-dione

C7H12N2O2 — CID 45088490

IUPAC1-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1CCC(=O)NC1=O
InChIInChI=1S/C7H12N2O2/c1-2-4-9-5-3-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11)
InChIKeyTXJILZIFBCKMQV-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.34
Rot. Bonds2

About 1-propyl-1,3-diazinane-2,4-dione

1-propyl-1,3-diazinane-2,4-dione (PubChem CID 45088490) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-propyl-1,3-diazinane-2,4-dione
PubChem CID45088490
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1CCC(=O)NC1=O
InChIInChI=1S/C7H12N2O2/c1-2-4-9-5-3-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11)
InChIKeyTXJILZIFBCKMQV-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydrouracil
CID 649
Dihydrothymine
CID 93556
Dimethylbarbituric acid
CID 69860
Dihydrothymine, (5S)-
CID 676414
Hydrouracil, 1-methyl-
CID 237963
5,5-Dimethyldihydropyrimidine-2,4(1H,3H)-dione
CID 21263987
1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 75722
5,6-Dihydro-5-fluorouracil
CID 121997
Dihydro-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 97818
1-(Propan-2-yl)-1,3-diazinane-2,4-dione
CID 253730
1,3-Dimethyl-1,3-diazinane-2,4-dione
CID 588295
(5R)-Dihydrothymine
CID 676415

Frequently Asked Questions

What is the IUPAC name of 1-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-propyl-1,3-diazinane-2,4-dione (CID 45088490) is 1-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-propyl-1,3-diazinane-2,4-dione is CCCN1CCC(=O)NC1=O.
What is the InChIKey of 1-propyl-1,3-diazinane-2,4-dione?
The InChIKey is TXJILZIFBCKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-4-9-5-3-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11).
What are the key properties of 1-propyl-1,3-diazinane-2,4-dione?
1-propyl-1,3-diazinane-2,4-dione has a molecular weight of 156.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 45088490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).