4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one

C10H16N6O — CID 102887980

IUPAC4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2ccnc(NN)n2)CC1=O
InChIInChI=1S/C10H16N6O/c1-15-5-2-6-16(7-9(15)17)8-3-4-12-10(13-8)14-11/h3-4H,2,5-7,11H2,1H3,(H,12,13,14)
InChIKeyKYDPWZRGAOIWTJ-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.57
Rot. Bonds2

About 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one

4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102887980) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID102887980
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2ccnc(NN)n2)CC1=O
InChIInChI=1S/C10H16N6O/c1-15-5-2-6-16(7-9(15)17)8-3-4-12-10(13-8)14-11/h3-4H,2,5-7,11H2,1H3,(H,12,13,14)
InChIKeyKYDPWZRGAOIWTJ-UHFFFAOYSA-N
XLogP-0.57
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
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-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102887981
[4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80909583
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226843
1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80928222
[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928758
4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
CID 102887615
[4-(3-methoxypiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 102972011
[4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine
CID 80918713
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852
4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102846599
[4-(4-propan-2-ylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103504775

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one (CID 102887980) is 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(c2ccnc(NN)n2)CC1=O.
What is the InChIKey of 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is KYDPWZRGAOIWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-15-5-2-6-16(7-9(15)17)8-3-4-12-10(13-8)14-11/h3-4H,2,5-7,11H2,1H3,(H,12,13,14).
What are the key properties of 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 236.28 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102887980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).