4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one

C13H22N6O — CID 81006346

IUPAC4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCc1c(NN)nc(C(C)C)nc1N1CCCNC(=O)C1
InChIInChI=1S/C13H22N6O/c1-8(2)11-16-12(18-14)9(3)13(17-11)19-6-4-5-15-10(20)7-19/h8H,4-7,14H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyRXQJXRSKVFIZEG-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.52
Rot. Bonds3

About 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one

4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one (PubChem CID 81006346) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
PubChem CID81006346
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCc1c(NN)nc(C(C)C)nc1N1CCCNC(=O)C1
InChIInChI=1S/C13H22N6O/c1-8(2)11-16-12(18-14)9(3)13(17-11)19-6-4-5-15-10(20)7-19/h8H,4-7,14H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyRXQJXRSKVFIZEG-UHFFFAOYSA-N
XLogP0.52
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.52
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-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80930528
[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81007053
4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80991689
N-ethyl-5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80981685
[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81006221
1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80994949
4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80843367
4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-1,4-diazepan-2-one
CID 65360969
5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80982123
4-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80827636
[5-methyl-2-propan-2-yl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83043823
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 80931369

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one (CID 81006346) is 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one is Cc1c(NN)nc(C(C)C)nc1N1CCCNC(=O)C1.
What is the InChIKey of 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one?
The InChIKey is RXQJXRSKVFIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-8(2)11-16-12(18-14)9(3)13(17-11)19-6-4-5-15-10(20)7-19/h8H,4-7,14H2,1-3H3,(H,15,20)(H,16,17,18).
What are the key properties of 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one?
4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 81006346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).