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

C6H9N5O2 — CID 135404220

IUPAC4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCN(C)c1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C6H9N5O2/c1-11(2)6-8-4(7)3(10-13)5(12)9-6/h1-2H3,(H3,7,8,9,12)
InChIKeyWQJLLOCUCJRMMW-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.18
Rot. Bonds2

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

4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135404220) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135404220
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCN(C)c1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C6H9N5O2/c1-11(2)6-8-4(7)3(10-13)5(12)9-6/h1-2H3,(H3,7,8,9,12)
InChIKeyWQJLLOCUCJRMMW-UHFFFAOYSA-N
XLogP-0.18
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-diamino-5-nitroso-1H-pyrimidin-4-one
CID 135408762
2-Amino-6-(methylamino)-5-nitroso-4-pyrimidinol
CID 135429858
6-Methylamino-5-nitroisocytosine
CID 135509070
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
2-Amino-7,9-dimethyl-3,8-dihydropurin-6-one
CID 135687059
6-Amino-2-methoxy-3-methyl-5-nitroso-4(3H)-pyrimidinone
CID 363850
2,5,6-Triamino-3-methylpyrimidin-4(3H)-one
CID 425138
5,6-diamino-2-(methylamino)pyrimidin-4(3H)-one
CID 135464817
Pyrimidine, 2,4-bisdimethylamino-6-hydroxy-5-nitro-
CID 135814989

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one (CID 135404220) is 4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one is CN(C)c1nc(N)c(N=O)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is WQJLLOCUCJRMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-11(2)6-8-4(7)3(10-13)5(12)9-6/h1-2H3,(H3,7,8,9,12).
What are the key properties of 4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one?
4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 183.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135404220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).