2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one

C14H14N4O — CID 135424789

IUPAC2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one
SMILESNc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1
InChIInChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19)
InChIKeyVRAZIAJSKFRSIP-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one

2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one (PubChem CID 135424789) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one
PubChem CID135424789
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one
SMILESNc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1
InChIInChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19)
InChIKeyVRAZIAJSKFRSIP-UHFFFAOYSA-N
XLogP1.62
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one (CID 135424789) is 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one is Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is VRAZIAJSKFRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19).
What are the key properties of 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one?
2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135424789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).