2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one

C15H16N4O — CID 11565240

IUPAC2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O
InChIInChI=1S/C15H16N4O/c1-19-14(20)9-12(18-15(19)16)5-3-10-2-4-11-6-7-17-13(11)8-10/h2,4,6-9,17H,3,5H2,1H3,(H2,16,18)
InChIKeyIEVOMHWKXAILLY-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.63
Rot. Bonds3

About 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one

2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one (PubChem CID 11565240) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one
PubChem CID11565240
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O
InChIInChI=1S/C15H16N4O/c1-19-14(20)9-12(18-15(19)16)5-3-10-2-4-11-6-7-17-13(11)8-10/h2,4,6-9,17H,3,5H2,1H3,(H2,16,18)
InChIKeyIEVOMHWKXAILLY-UHFFFAOYSA-N
XLogP1.63
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Acetyltryptamine
CID 70547
N-(2-(1H-Indol-3-Yl)Ethyl)Propanamide
CID 216303
Cinnamoyl tryptamine
CID 823206
N-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 156442379
N-(2-(5-fluoro-1H-indol-3-yl)ethyl)acetamide
CID 699127
1H-Indole-6-carboxamide
CID 594837
N-[2-(1H-Indol-3-yl)ethyl]-N-methylacetamide
CID 383154
1-((1H-Indol-4-yl)methyl)-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide
CID 126648444
1-[4-(1H-indol-3-yl)piperidino]ethan-1-one
CID 2728359
2-amino-6-(2-(1H-indol-6-yl)ethyl)pyrimidin-4(3H)-one
CID 135424789
(E)-N-[5-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 132942960
(E)-N-[7-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]heptyl]-3-pyridin-3-ylprop-2-enamide
CID 145100143

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one (CID 11565240) is 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one is Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O.
What is the InChIKey of 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one?
The InChIKey is IEVOMHWKXAILLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-14(20)9-12(18-15(19)16)5-3-10-2-4-11-6-7-17-13(11)8-10/h2,4,6-9,17H,3,5H2,1H3,(H2,16,18).
What are the key properties of 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one?
2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one has a molecular weight of 268.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 11565240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).