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

C5H7N5O2 — CID 135429858

IUPAC2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCNc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)
InChIKeyISOZZGJCVBHMSM-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.21
Rot. Bonds2

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

2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135429858) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135429858
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCNc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)
InChIKeyISOZZGJCVBHMSM-UHFFFAOYSA-N
XLogP-0.21
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one (CID 135429858) is 2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one is CNc1nc(N)[nH]c(=O)c1N=O.
What is the InChIKey of 2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is ISOZZGJCVBHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11).
What are the key properties of 2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 169.14 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methylamino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135429858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).