4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one

C12H10N4O — CID 135780355

IUPAC4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C12H10N4O/c13-11-10(12(17)16-6-15-11)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H3,13,15,16,17)
InChIKeyBXCDOADHBXSCRU-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.50
Rot. Bonds1

About 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one

4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one (PubChem CID 135780355) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
PubChem CID135780355
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C12H10N4O/c13-11-10(12(17)16-6-15-11)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H3,13,15,16,17)
InChIKeyBXCDOADHBXSCRU-UHFFFAOYSA-N
XLogP1.50
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine
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[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine
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4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one (CID 135780355) is 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one is Nc1nc[nH]c(=O)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is BXCDOADHBXSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-11-10(12(17)16-6-15-11)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H3,13,15,16,17).
What are the key properties of 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one?
4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 226.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135780355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).