4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one

C13H11N3O2 — CID 67282201

IUPAC4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Cc2c[nH]c3ccccc23)[nH]1
InChIInChI=1S/C13H11N3O2/c17-12-6-13(18)16-11(15-12)5-8-7-14-10-4-2-1-3-9(8)10/h1-4,6-7,14H,5H2,(H2,15,16,17,18)
InChIKeyPYZSZPWUBDWJBM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds2

About 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 67282201) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID67282201
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Cc2c[nH]c3ccccc23)[nH]1
InChIInChI=1S/C13H11N3O2/c17-12-6-13(18)16-11(15-12)5-8-7-14-10-4-2-1-3-9(8)10/h1-4,6-7,14H,5H2,(H2,15,16,17,18)
InChIKeyPYZSZPWUBDWJBM-UHFFFAOYSA-N
XLogP1.55
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 63613771
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CID 723051
5-(1H-indol-3-ylmethyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 10728167
4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]benzene-1,2-diol
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2-(1H-indol-3-ylmethyl)-5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60518739
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2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
CID 136903472
3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole
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CID 24973276
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 86272985
5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one
CID 57316748
(2S,3S)-1-N-[2-(1H-indol-3-ylmethyl)-3H-benzimidazol-5-yl]-3-methylpentane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one (CID 67282201) is 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(Cc2c[nH]c3ccccc23)[nH]1.
What is the InChIKey of 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is PYZSZPWUBDWJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12-6-13(18)16-11(15-12)5-8-7-14-10-4-2-1-3-9(8)10/h1-4,6-7,14H,5H2,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 241.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 67282201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).