1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one

C12H20N6O — CID 80946966

IUPAC1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one
SMILESCCCc1nc(NN)cc(N2CCNC(=O)CC2)n1
InChIInChI=1S/C12H20N6O/c1-2-3-9-15-10(17-13)8-11(16-9)18-6-4-12(19)14-5-7-18/h8H,2-7,13H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyYSFKQQVNAJOZIQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.04
Rot. Bonds4

About 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one

1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one (PubChem CID 80946966) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one
PubChem CID80946966
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one
SMILESCCCc1nc(NN)cc(N2CCNC(=O)CC2)n1
InChIInChI=1S/C12H20N6O/c1-2-3-9-15-10(17-13)8-11(16-9)18-6-4-12(19)14-5-7-18/h8H,2-7,13H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyYSFKQQVNAJOZIQ-UHFFFAOYSA-N
XLogP0.04
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one
CID 80947659
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1,4-diazepan-5-one
CID 80964373
4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one
CID 80945932
(2-propyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 13393618
[6-(8-azaspiro[4.5]decan-8-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80944594
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-1,4-diazepan-5-one
CID 80830734
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409168
[2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80943836
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-1,4-diazepan-5-one
CID 80655902
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80957470
(2-ethyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 80937224
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198752

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one?
The IUPAC name of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one (CID 80946966) is 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one is CCCc1nc(NN)cc(N2CCNC(=O)CC2)n1.
What is the InChIKey of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one?
The InChIKey is YSFKQQVNAJOZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-2-3-9-15-10(17-13)8-11(16-9)18-6-4-12(19)14-5-7-18/h8H,2-7,13H2,1H3,(H,14,19)(H,15,16,17).
What are the key properties of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one?
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one has a molecular weight of 264.33 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 80946966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).