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

C6H8N4O — CID 136610584

IUPAC2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C6H8N4O/c1-3-4(8-2)5(11)10-6(7)9-3/h2H2,1H3,(H3,7,9,10,11)
InChIKeyKUYRGEGLFLFACA-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.01
Rot. Bonds1

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

2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one (PubChem CID 136610584) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one
PubChem CID136610584
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C6H8N4O/c1-3-4(8-2)5(11)10-6(7)9-3/h2H2,1H3,(H3,7,9,10,11)
InChIKeyKUYRGEGLFLFACA-UHFFFAOYSA-N
XLogP-0.01
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.01
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 2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one (CID 136610584) is 2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one is C=Nc1c(C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one?
The InChIKey is KUYRGEGLFLFACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-3-4(8-2)5(11)10-6(7)9-3/h2H2,1H3,(H3,7,9,10,11).
What are the key properties of 2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one?
2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one has a molecular weight of 152.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-(methylideneamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136610584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).