4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one

C11H18N6O — CID 80947659

IUPAC4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one
SMILESCCCc1nc(NN)cc(N2CCNC(=O)C2)n1
InChIInChI=1S/C11H18N6O/c1-2-3-8-14-9(16-12)6-10(15-8)17-5-4-13-11(18)7-17/h6H,2-5,7,12H2,1H3,(H,13,18)(H,14,15,16)
InChIKeySXJVXZGQCVYKDJ-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.35
Rot. Bonds4

About 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one

4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one (PubChem CID 80947659) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one
PubChem CID80947659
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one
SMILESCCCc1nc(NN)cc(N2CCNC(=O)C2)n1
InChIInChI=1S/C11H18N6O/c1-2-3-8-14-9(16-12)6-10(15-8)17-5-4-13-11(18)7-17/h6H,2-5,7,12H2,1H3,(H,13,18)(H,14,15,16)
InChIKeySXJVXZGQCVYKDJ-UHFFFAOYSA-N
XLogP-0.35
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.35
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

1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one
CID 80946966
4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one
CID 80945932
4-(6-chloro-2-propylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80946128
(2-propyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 13393618
4-(6-hydrazinylpyrazin-2-yl)piperazin-2-one
CID 80932982
[6-(8-azaspiro[4.5]decan-8-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80944594
4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80931065
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
4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione
CID 113401894
4-[6-(ethylamino)pyrazin-2-yl]piperazin-2-one
CID 78990212
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 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one (CID 80947659) is 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one is CCCc1nc(NN)cc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one?
The InChIKey is SXJVXZGQCVYKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-2-3-8-14-9(16-12)6-10(15-8)17-5-4-13-11(18)7-17/h6H,2-5,7,12H2,1H3,(H,13,18)(H,14,15,16).
What are the key properties of 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one?
4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one has a molecular weight of 250.31 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 80947659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).