6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one

C9H13N5O2 — CID 57465366

IUPAC6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCn1c(N2CCCC2)nc(N)c(N=O)c1=O
InChIInChI=1S/C9H13N5O2/c1-13-8(15)6(12-16)7(10)11-9(13)14-4-2-3-5-14/h2-5,10H2,1H3
InChIKeyUVQTZZIWUGEACH-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.36
Rot. Bonds2

About 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one

6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one (PubChem CID 57465366) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one
PubChem CID57465366
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCn1c(N2CCCC2)nc(N)c(N=O)c1=O
InChIInChI=1S/C9H13N5O2/c1-13-8(15)6(12-16)7(10)11-9(13)14-4-2-3-5-14/h2-5,10H2,1H3
InChIKeyUVQTZZIWUGEACH-UHFFFAOYSA-N
XLogP0.36
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987602
6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3H)-one monohydrate
CID 57465365
2-Diethylamino-4-hydroxy-5-nitroso-6-aminopyrimidine
CID 164513055
6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4(3H)-one
CID 7095274
N-ethyl-N-{5-nitro-6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl}pyrrolidine-1-carboximidamide
CID 136154084
7-AMINO-2,3-DIHYDRO-1-(2-METHYLPROPYL)-6-NITROSOIMIDAZO[1,2-a]PYRIMIDIN-5(1H)-ONE
CID 13391421
2-Amino-7-butyl-1,9-dihydropurine-6,8-dione
CID 153282992
2-amino-7-butyl-9-methyl-1H-purine-6,8-dione
CID 156435213
4-amino-2-(4-methylpiperazin-1-yl)-5-nitroso-1H-pyrimidin-6-one
CID 171653769
6-Amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one
CID 11127976
6-Amino-2-[2-[bis(2-aminoethyl)amino]ethylamino]-3-methyl-5-nitrosopyrimidin-4-one
CID 101763444
5-nitro-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 132487865

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one?
The IUPAC name of 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one (CID 57465366) is 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one is Cn1c(N2CCCC2)nc(N)c(N=O)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one?
The InChIKey is UVQTZZIWUGEACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-13-8(15)6(12-16)7(10)11-9(13)14-4-2-3-5-14/h2-5,10H2,1H3.
What are the key properties of 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one?
6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one has a molecular weight of 223.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 57465366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).