2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one

C6H8N4O2 — CID 89004486

IUPAC2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(OC)nc(N)[nH]c1=O
InChIInChI=1S/C6H8N4O2/c1-8-3-4(11)9-6(7)10-5(3)12-2/h1H2,2H3,(H3,7,9,10,11)
InChIKeyCNUGFFGINMDRLH-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.31
Rot. Bonds2

About 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one

2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one (PubChem CID 89004486) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one
PubChem CID89004486
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(OC)nc(N)[nH]c1=O
InChIInChI=1S/C6H8N4O2/c1-8-3-4(11)9-6(7)10-5(3)12-2/h1H2,2H3,(H3,7,9,10,11)
InChIKeyCNUGFFGINMDRLH-UHFFFAOYSA-N
XLogP-0.31
TPSA93.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one (CID 89004486) is 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one is C=Nc1c(OC)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one?
The InChIKey is CNUGFFGINMDRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-8-3-4(11)9-6(7)10-5(3)12-2/h1H2,2H3,(H3,7,9,10,11).
What are the key properties of 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one?
2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one has a molecular weight of 168.16 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-5-(methylideneamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 89004486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).