6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one

C6H9N5O2 — CID 5325340

IUPAC6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one
SMILESCNc1nc(N)c(N=O)c(=O)n1C
InChIInChI=1S/C6H9N5O2/c1-8-6-9-4(7)3(10-13)5(12)11(6)2/h7H2,1-2H3,(H,8,9)
InChIKeyPFTXQZBFRKXWOE-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.20
Rot. Bonds2

About 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one

6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one (PubChem CID 5325340) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one
PubChem CID5325340
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one
SMILESCNc1nc(N)c(N=O)c(=O)n1C
InChIInChI=1S/C6H9N5O2/c1-8-6-9-4(7)3(10-13)5(12)11(6)2/h7H2,1-2H3,(H,8,9)
InChIKeyPFTXQZBFRKXWOE-UHFFFAOYSA-N
XLogP-0.20
TPSA102.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-6-(methylamino)-5-nitroso-4-pyrimidinol
CID 135429858
6-Methylamino-5-nitroisocytosine
CID 135509070
6-Amino-2-(dimethylamino)-5-nitroso-4-pyrimidinol
CID 135404220
6-(Methylamino)-5-nitro-4-pyrimidinol
CID 135424258
2-amino-7-methyl-8,9-dihydro-1H-purin-6-one
CID 135499688
N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)formamide
CID 333439
6-Amino-3-methyl-5-nitroso-4(3H)-pyrimidinone
CID 378839
2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987602
2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987603
2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135987607
6-Amino-2-methoxy-3-methyl-5-nitroso-4(3H)-pyrimidinone
CID 363850
2,5,6-Triamino-3-methylpyrimidin-4(3H)-one
CID 425138

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one?
The IUPAC name of 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one (CID 5325340) is 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one.
What is the SMILES notation for 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one?
The canonical SMILES for 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one is CNc1nc(N)c(N=O)c(=O)n1C.
What is the InChIKey of 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one?
The InChIKey is PFTXQZBFRKXWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-8-6-9-4(7)3(10-13)5(12)11(6)2/h7H2,1-2H3,(H,8,9).
What are the key properties of 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one?
6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one has a molecular weight of 183.17 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-2-(methylamino)-5-nitrosopyrimidin-4-one is sourced from PubChem (CID 5325340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).