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

C5H9N5O — CID 135464817

IUPAC4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C5H9N5O/c1-8-5-9-3(7)2(6)4(11)10-5/h6H2,1H3,(H4,7,8,9,10,11)
InChIKeyDDIJDBWODRIYDS-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.02
Rot. Bonds1

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

4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135464817) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID135464817
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C5H9N5O/c1-8-5-9-3(7)2(6)4(11)10-5/h6H2,1H3,(H4,7,8,9,10,11)
InChIKeyDDIJDBWODRIYDS-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 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one (CID 135464817) is 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is DDIJDBWODRIYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-8-5-9-3(7)2(6)4(11)10-5/h6H2,1H3,(H4,7,8,9,10,11).
What are the key properties of 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one?
4,5-diamino-2-(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 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135464817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).