4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one

C9H15N6O3- — CID 135720741

IUPAC4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N2CCN(N([O-])O)CC2)c(=O)[nH]1
InChIInChI=1S/C9H15N6O3/c1-6-11-8(10)7(9(16)12-6)13-2-4-14(5-3-13)15(17)18/h17H,2-5H2,1H3,(H3,10,11,12,16)/q-1
InChIKeyHSMZVDKICUXZJO-UHFFFAOYSA-N
MW255.26 g/mol
LogP-1.11
Rot. Bonds2

About 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 135720741) has the molecular formula C9H15N6O3- and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID135720741
Molecular FormulaC9H15N6O3-
Molecular Weight255.26 g/mol
Exact Mass255.12
IUPAC Name4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N2CCN(N([O-])O)CC2)c(=O)[nH]1
InChIInChI=1S/C9H15N6O3/c1-6-11-8(10)7(9(16)12-6)13-2-4-14(5-3-13)15(17)18/h17H,2-5H2,1H3,(H3,10,11,12,16)/q-1
InChIKeyHSMZVDKICUXZJO-UHFFFAOYSA-N
XLogP-1.11
TPSA124.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422862
2,6-Dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol
CID 135489784
6-Amino-2-methyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135406383
6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135444495
6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135450418
6-Amino-2-methyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol
CID 135470069
2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135481922
4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylic acid
CID 135489787
4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinesulfonamide
CID 135489788
Ethane;2-methyl-7-(4-methylpiperazin-1-yl)-3,5-dihydropteridine-4,6-dione
CID 144485330
3-(methylamino)-5-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrazine-2-carboxamide
CID 170127791
4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypiperazin-1-amine oxide
CID 135720738

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 135720741) is 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)c(N2CCN(N([O-])O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HSMZVDKICUXZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N6O3/c1-6-11-8(10)7(9(16)12-6)13-2-4-14(5-3-13)15(17)18/h17H,2-5H2,1H3,(H3,10,11,12,16)/q-1.
What are the key properties of 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 255.26 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-[hydroxy(oxido)amino]piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135720741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).