4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one

C9H11N3O2 — CID 14408841

IUPAC4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one
SMILESCc1cn(C=C=CCO)c(=O)nc1N
InChIInChI=1S/C9H11N3O2/c1-7-6-12(4-2-3-5-13)9(14)11-8(7)10/h3-4,6,13H,5H2,1H3,(H2,10,11,14)
InChIKeyKYKYYHDAOLNONI-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.25
Rot. Bonds2

About 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one

4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one (PubChem CID 14408841) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one
PubChem CID14408841
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one
SMILESCc1cn(C=C=CCO)c(=O)nc1N
InChIInChI=1S/C9H11N3O2/c1-7-6-12(4-2-3-5-13)9(14)11-8(7)10/h3-4,6,13H,5H2,1H3,(H2,10,11,14)
InChIKeyKYKYYHDAOLNONI-UHFFFAOYSA-N
XLogP-0.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one (CID 14408841) is 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one is Cc1cn(C=C=CCO)c(=O)nc1N.
What is the InChIKey of 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one?
The InChIKey is KYKYYHDAOLNONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7-6-12(4-2-3-5-13)9(14)11-8(7)10/h3-4,6,13H,5H2,1H3,(H2,10,11,14).
What are the key properties of 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one?
4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 14408841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).