4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one

C9H14N6O2 — CID 171653769

IUPAC4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(N)c(N=O)c(=O)[nH]2)CC1
InChIInChI=1S/C9H14N6O2/c1-14-2-4-15(5-3-14)9-11-7(10)6(13-17)8(16)12-9/h2-5H2,1H3,(H3,10,11,12,16)
InChIKeyCYRAVZZJDVUOKD-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.50
Rot. Bonds2

About 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one

4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 171653769) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one
PubChem CID171653769
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(N)c(N=O)c(=O)[nH]2)CC1
InChIInChI=1S/C9H14N6O2/c1-14-2-4-15(5-3-14)9-11-7(10)6(13-17)8(16)12-9/h2-5H2,1H3,(H3,10,11,12,16)
InChIKeyCYRAVZZJDVUOKD-UHFFFAOYSA-N
XLogP-0.50
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one (CID 171653769) is 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one is CN1CCN(c2nc(N)c(N=O)c(=O)[nH]2)CC1.
What is the InChIKey of 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is CYRAVZZJDVUOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-14-2-4-15(5-3-14)9-11-7(10)6(13-17)8(16)12-9/h2-5H2,1H3,(H3,10,11,12,16).
What are the key properties of 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one?
4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 238.25 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 171653769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).