[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

C21H25N5O — CID 109363650

IUPAC[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C21H25N5O/c1-15-24-19(21(27)26-11-5-2-6-12-26)13-20(25-15)22-10-9-16-14-23-18-8-4-3-7-17(16)18/h3-4,7-8,13-14,23H,2,5-6,9-12H2,1H3,(H,22,24,25)
InChIKeyWFJWKEABKPUSJB-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.55
Rot. Bonds5

About [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109363650) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109363650
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C21H25N5O/c1-15-24-19(21(27)26-11-5-2-6-12-26)13-20(25-15)22-10-9-16-14-23-18-8-4-3-7-17(16)18/h3-4,7-8,13-14,23H,2,5-6,9-12H2,1H3,(H,22,24,25)
InChIKeyWFJWKEABKPUSJB-UHFFFAOYSA-N
XLogP3.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367329
N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363292
N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372692
6-[2-(1H-indol-3-yl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369044
2-[[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194862
[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362953
[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225545
[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363675
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870723
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365533
[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135100266

Frequently Asked Questions

What is the IUPAC name of [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109363650) is [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)N2CCCCC2)n1.
What is the InChIKey of [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is WFJWKEABKPUSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-24-19(21(27)26-11-5-2-6-12-26)13-20(25-15)22-10-9-16-14-23-18-8-4-3-7-17(16)18/h3-4,7-8,13-14,23H,2,5-6,9-12H2,1H3,(H,22,24,25).
What are the key properties of [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 363.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109363650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).