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

C5H9N5O — CID 45122060

IUPAC5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1nc(=O)[nH]c(N)c1N
InChIInChI=1S/C5H9N5O/c1-8-4-2(6)3(7)9-5(11)10-4/h6H2,1H3,(H4,7,8,9,10,11)
InChIKeyFPPWQJXBMJWEOE-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.02
Rot. Bonds1

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

5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one (PubChem CID 45122060) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one
PubChem CID45122060
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1nc(=O)[nH]c(N)c1N
InChIInChI=1S/C5H9N5O/c1-8-4-2(6)3(7)9-5(11)10-4/h6H2,1H3,(H4,7,8,9,10,11)
InChIKeyFPPWQJXBMJWEOE-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 5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one?
The IUPAC name of 5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one (CID 45122060) is 5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one is CNc1nc(=O)[nH]c(N)c1N.
What is the InChIKey of 5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one?
The InChIKey is FPPWQJXBMJWEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-8-4-2(6)3(7)9-5(11)10-4/h6H2,1H3,(H4,7,8,9,10,11).
What are the key properties of 5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one?
5,6-diamino-4-(methylamino)-1H-pyrimidin-2-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 5,6-diamino-4-(methylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 45122060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).