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

C12H20N6O — CID 80930528

IUPAC4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCC(C)c1c(NN)ncnc1N1CCCNC(=O)C1
InChIInChI=1S/C12H20N6O/c1-8(2)10-11(17-13)15-7-16-12(10)18-5-3-4-14-9(19)6-18/h7-8H,3-6,13H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyXOBVAANZWRAKQZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.21
Rot. Bonds3

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

4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one (PubChem CID 80930528) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
PubChem CID80930528
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCC(C)c1c(NN)ncnc1N1CCCNC(=O)C1
InChIInChI=1S/C12H20N6O/c1-8(2)10-11(17-13)15-7-16-12(10)18-5-3-4-14-9(19)6-18/h7-8H,3-6,13H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyXOBVAANZWRAKQZ-UHFFFAOYSA-N
XLogP0.21
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.21
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-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80827636
4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 81006346
(5-propan-2-yl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932530
3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 80910440
1-methyl-4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-1,4-diazepan-2-one
CID 102887875
4-[5-(1-aminoethyl)-1,3-thiazol-2-yl]-1,4-diazepan-2-one
CID 65366601
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one
CID 80763940
4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80843367
1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-5-one
CID 55231242
4-[6-(methylamino)-5-nitropyrimidin-4-yl]piperazin-2-one
CID 112725374
4-hydrazinyl-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137338
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one (CID 80930528) is 4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one is CC(C)c1c(NN)ncnc1N1CCCNC(=O)C1.
What is the InChIKey of 4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one?
The InChIKey is XOBVAANZWRAKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-8(2)10-11(17-13)15-7-16-12(10)18-5-3-4-14-9(19)6-18/h7-8H,3-6,13H2,1-2H3,(H,14,19)(H,15,16,17).
What are the key properties of 4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one?
4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.21, 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-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 80930528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).