2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one

C5H9N5O — CID 135850747

IUPAC2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C5H9N5O/c1-8-3-2(6)4(11)10-5(7)9-3/h6H2,1H3,(H4,7,8,9,10,11)
InChIKeyXJNLXUKLYDSPRP-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.02
Rot. Bonds1

About 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one

2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135850747) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one
PubChem CID135850747
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C5H9N5O/c1-8-3-2(6)4(11)10-5(7)9-3/h6H2,1H3,(H4,7,8,9,10,11)
InChIKeyXJNLXUKLYDSPRP-UHFFFAOYSA-N
XLogP-1.02
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one (CID 135850747) is 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one is CNc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is XJNLXUKLYDSPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-8-3-2(6)4(11)10-5(7)9-3/h6H2,1H3,(H4,7,8,9,10,11).
What are the key properties of 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one?
2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -1.02, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135850747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).