1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione

C12H19N3O2 — CID 166113119

IUPAC1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)N1C=C(N2CCC(=O)NC2=O)CCC1
InChIInChI=1S/C12H19N3O2/c1-9(2)14-6-3-4-10(8-14)15-7-5-11(16)13-12(15)17/h8-9H,3-7H2,1-2H3,(H,13,16,17)
InChIKeyTURZXCOSIHHHHC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.27
Rot. Bonds2

About 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione

1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione (PubChem CID 166113119) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
PubChem CID166113119
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)N1C=C(N2CCC(=O)NC2=O)CCC1
InChIInChI=1S/C12H19N3O2/c1-9(2)14-6-3-4-10(8-14)15-7-5-11(16)13-12(15)17/h8-9H,3-7H2,1-2H3,(H,13,16,17)
InChIKeyTURZXCOSIHHHHC-UHFFFAOYSA-N
XLogP1.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione (CID 166113119) is 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione is CC(C)N1C=C(N2CCC(=O)NC2=O)CCC1.
What is the InChIKey of 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione?
The InChIKey is TURZXCOSIHHHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)14-6-3-4-10(8-14)15-7-5-11(16)13-12(15)17/h8-9H,3-7H2,1-2H3,(H,13,16,17).
What are the key properties of 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione?
1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166113119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).