6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione

C9H17N5O2 — CID 83026863

IUPAC6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NN(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-4-5-14-7(10)6(12-13(2)3)8(15)11-9(14)16/h12H,4-5,10H2,1-3H3,(H,11,15,16)
InChIKeyXXNRHWAOMYOUIK-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.58
Rot. Bonds4

About 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione

6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione (PubChem CID 83026863) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
PubChem CID83026863
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NN(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-4-5-14-7(10)6(12-13(2)3)8(15)11-9(14)16/h12H,4-5,10H2,1-3H3,(H,11,15,16)
InChIKeyXXNRHWAOMYOUIK-UHFFFAOYSA-N
XLogP-0.58
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-5-(hexan-3-ylamino)-1-propylpyrimidine-2,4-dione
CID 62046800
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
CID 115628510
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592
6-amino-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 63967441
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione (CID 83026863) is 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NN(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is XXNRHWAOMYOUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-4-5-14-7(10)6(12-13(2)3)8(15)11-9(14)16/h12H,4-5,10H2,1-3H3,(H,11,15,16).
What are the key properties of 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione?
6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 227.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 83026863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).