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

C5H8N4O2 — CID 45083170

IUPAC2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-7-2-3(10)8-5(6)9-4(2)11/h7H,1H3,(H4,6,8,9,10,11)
InChIKeyBUTGFUJFCOCCRQ-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.90
Rot. Bonds1

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

2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one (PubChem CID 45083170) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one
PubChem CID45083170
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-7-2-3(10)8-5(6)9-4(2)11/h7H,1H3,(H4,6,8,9,10,11)
InChIKeyBUTGFUJFCOCCRQ-UHFFFAOYSA-N
XLogP-0.90
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one (CID 45083170) is 2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one is CNc1c(O)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is BUTGFUJFCOCCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-7-2-3(10)8-5(6)9-4(2)11/h7H,1H3,(H4,6,8,9,10,11).
What are the key properties of 2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one?
2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 156.15 g/mol, XLogP of -0.90, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-5-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 45083170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).