3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol

C12H10N4O — CID 10421236

IUPAC3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol
SMILESNc1nccc(-c2c[nH]c3cccc(O)c23)n1
InChIInChI=1S/C12H10N4O/c13-12-14-5-4-8(16-12)7-6-15-9-2-1-3-10(17)11(7)9/h1-6,15,17H,(H2,13,14,16)
InChIKeySZOKTSDFOPVLFD-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.91
Rot. Bonds1

About 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol

3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol (PubChem CID 10421236) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol
PubChem CID10421236
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol
SMILESNc1nccc(-c2c[nH]c3cccc(O)c23)n1
InChIInChI=1S/C12H10N4O/c13-12-14-5-4-8(16-12)7-6-15-9-2-1-3-10(17)11(7)9/h1-6,15,17H,(H2,13,14,16)
InChIKeySZOKTSDFOPVLFD-UHFFFAOYSA-N
XLogP1.91
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Psilocin
CID 4980
1H-indol-4-ol
CID 75421
Pki-166
CID 6918403
4-HO-Met
CID 21786582
Deupsilocin
CID 117065176
Meridianin E
CID 9995236
3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol
CID 10380356
4-Hydroxytryptamine
CID 11297
RP107
CID 448912
Norpsilocin
CID 14107683
6-Hydroxytryptamine
CID 160463
3-({7-Aminopyrido[4,3-d]pyrimidin-4-yl}amino)phenol
CID 5328072

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol (CID 10421236) is 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol is Nc1nccc(-c2c[nH]c3cccc(O)c23)n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol?
The InChIKey is SZOKTSDFOPVLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-12-14-5-4-8(16-12)7-6-15-9-2-1-3-10(17)11(7)9/h1-6,15,17H,(H2,13,14,16).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol?
3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol has a molecular weight of 226.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol is sourced from PubChem (CID 10421236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).