3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one

C8H12N4O — CID 163596715

IUPAC3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one
SMILESC=CN(C)c1cc(N)[nH]c(=O)c1N
InChIInChI=1S/C8H12N4O/c1-3-12(2)5-4-6(9)11-8(13)7(5)10/h3-4H,1,10H2,2H3,(H3,9,11,13)
InChIKeyGUBKSDPICKGDHD-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds2

About 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one

3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one (PubChem CID 163596715) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one
PubChem CID163596715
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one
SMILESC=CN(C)c1cc(N)[nH]c(=O)c1N
InChIInChI=1S/C8H12N4O/c1-3-12(2)5-4-6(9)11-8(13)7(5)10/h3-4H,1,10H2,2H3,(H3,9,11,13)
InChIKeyGUBKSDPICKGDHD-UHFFFAOYSA-N
XLogP0.12
TPSA88.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one?
The IUPAC name of 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one (CID 163596715) is 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one.
What is the SMILES notation for 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one?
The canonical SMILES for 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one is C=CN(C)c1cc(N)[nH]c(=O)c1N.
What is the InChIKey of 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one?
The InChIKey is GUBKSDPICKGDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-3-12(2)5-4-6(9)11-8(13)7(5)10/h3-4H,1,10H2,2H3,(H3,9,11,13).
What are the key properties of 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one?
3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one is sourced from PubChem (CID 163596715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).