2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one

C5H9N5O — CID 135408052

IUPAC2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(N)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C5H9N5O/c1-10(7)3-2-4(11)9-5(6)8-3/h2H,7H2,1H3,(H3,6,8,9,11)
InChIKeyAESGJYVQDCJVQY-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.34
Rot. Bonds1

About 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one

2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 135408052) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one
PubChem CID135408052
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(N)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C5H9N5O/c1-10(7)3-2-4(11)9-5(6)8-3/h2H,7H2,1H3,(H3,6,8,9,11)
InChIKeyAESGJYVQDCJVQY-UHFFFAOYSA-N
XLogP-1.34
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one (CID 135408052) is 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one is CN(N)c1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is AESGJYVQDCJVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-10(7)3-2-4(11)9-5(6)8-3/h2H,7H2,1H3,(H3,6,8,9,11).
What are the key properties of 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one?
2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[amino(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135408052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).