4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one

C6H8N4O — CID 136597519

IUPAC4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(NC)nc[nH]c1=O
InChIInChI=1S/C6H8N4O/c1-7-4-5(8-2)9-3-10-6(4)11/h3H,1H2,2H3,(H2,8,9,10,11)
InChIKeyCZSSLFZYDIVXQO-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.14
Rot. Bonds2

About 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one

4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one (PubChem CID 136597519) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one
PubChem CID136597519
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(NC)nc[nH]c1=O
InChIInChI=1S/C6H8N4O/c1-7-4-5(8-2)9-3-10-6(4)11/h3H,1H2,2H3,(H2,8,9,10,11)
InChIKeyCZSSLFZYDIVXQO-UHFFFAOYSA-N
XLogP0.14
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one (CID 136597519) is 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one is C=Nc1c(NC)nc[nH]c1=O.
What is the InChIKey of 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one?
The InChIKey is CZSSLFZYDIVXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-7-4-5(8-2)9-3-10-6(4)11/h3H,1H2,2H3,(H2,8,9,10,11).
What are the key properties of 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one?
4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one has a molecular weight of 152.16 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136597519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).