1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione

C19H24N4O2 — CID 101155354

IUPAC1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCCCCn2ccc3c(N)cccc32)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O2/c1-14-13-23(19(25)21-18(14)24)11-5-3-2-4-10-22-12-9-15-16(20)7-6-8-17(15)22/h6-9,12-13H,2-5,10-11,20H2,1H3,(H,21,24,25)
InChIKeySQIUENRUMMRNFZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.64
Rot. Bonds7

About 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione

1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione (PubChem CID 101155354) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione
PubChem CID101155354
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCCCCn2ccc3c(N)cccc32)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O2/c1-14-13-23(19(25)21-18(14)24)11-5-3-2-4-10-22-12-9-15-16(20)7-6-8-17(15)22/h6-9,12-13H,2-5,10-11,20H2,1H3,(H,21,24,25)
InChIKeySQIUENRUMMRNFZ-UHFFFAOYSA-N
XLogP2.64
TPSA85.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[7-(4-aminoindol-1-yl)heptyl]-5-methylpyrimidine-2,4-dione
CID 101155356
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
1-(4-methylpentyl)indol-4-amine
CID 83157136
5-methyl-1-undec-10-enylpyrimidine-2,4-dione
CID 102262411
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine
CID 104562950
1-[3-(4-methoxyphenyl)propyl]indol-4-amine
CID 90090798
4-(4-methylindol-1-yl)butan-1-amine
CID 43163516
2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]isoindole-1,3-dione
CID 11109334
1-[4-(4-benzylpiperidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 66737741
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324
5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67373850
5-(4-methylindol-1-yl)pentanehydrazide
CID 55214450

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione (CID 101155354) is 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CCCCCCn2ccc3c(N)cccc32)c(=O)[nH]c1=O.
What is the InChIKey of 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is SQIUENRUMMRNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-13-23(19(25)21-18(14)24)11-5-3-2-4-10-22-12-9-15-16(20)7-6-8-17(15)22/h6-9,12-13H,2-5,10-11,20H2,1H3,(H,21,24,25).
What are the key properties of 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione?
1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 340.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 101155354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).