4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one

C5H6N4O2 — CID 135416495

IUPAC4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C5H6N4O2/c1-2-7-4(6)3(9-11)5(10)8-2/h1H3,(H3,6,7,8,10)
InChIKeyDRDJDNORXOOBHR-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.06
Rot. Bonds1

About 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one

4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135416495) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one
PubChem CID135416495
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C5H6N4O2/c1-2-7-4(6)3(9-11)5(10)8-2/h1H3,(H3,6,7,8,10)
InChIKeyDRDJDNORXOOBHR-UHFFFAOYSA-N
XLogP0.06
TPSA101.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one (CID 135416495) is 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one is Cc1nc(N)c(N=O)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is DRDJDNORXOOBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-2-7-4(6)3(9-11)5(10)8-2/h1H3,(H3,6,7,8,10).
What are the key properties of 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one?
4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 154.13 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135416495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).