4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine

C22H28N4O — CID 143892911

IUPAC4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine
SMILESCCCCOc1cccc2c1ccn2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C22H28N4O/c1-2-3-16-27-20-11-7-10-19-18(20)13-15-26(19)21-12-14-23-22(25-21)24-17-8-5-4-6-9-17/h7,10-15,17H,2-6,8-9,16H2,1H3,(H,23,24,25)
InChIKeyNOGINUDGYCGFAP-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.34
Rot. Bonds7

About 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine

4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine (PubChem CID 143892911) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine
PubChem CID143892911
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine
SMILESCCCCOc1cccc2c1ccn2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C22H28N4O/c1-2-3-16-27-20-11-7-10-19-18(20)13-15-26(19)21-12-14-23-22(25-21)24-17-8-5-4-6-9-17/h7,10-15,17H,2-6,8-9,16H2,1H3,(H,23,24,25)
InChIKeyNOGINUDGYCGFAP-UHFFFAOYSA-N
XLogP5.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-difluorocyclohexyl)-4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-amine
CID 59743431
[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane
CID 143687462
sodium 4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 86659980
N-[(3R)-1-ethylpiperidin-3-yl]-4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 58542188
(4-hydroxypiperidin-1-yl)-[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
CID 58017084
(3-hydroxyazetidin-1-yl)-[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
CID 59743370
4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743509
(4,4-difluoropiperidin-1-yl)-[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
CID 59743368
tert-butyl 4-[[4-(4-methoxyindol-1-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 91362323
[1-[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexanecarbonyl]piperidin-4-yl] (2S)-pyrrolidine-2-carboxylate
CID 44546767
3-[4-[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]piperazin-1-yl]-3-oxopropanenitrile
CID 50942837
2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol
CID 89431859

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine?
The IUPAC name of 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine (CID 143892911) is 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine?
The canonical SMILES for 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine is CCCCOc1cccc2c1ccn2-c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine?
The InChIKey is NOGINUDGYCGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-2-3-16-27-20-11-7-10-19-18(20)13-15-26(19)21-12-14-23-22(25-21)24-17-8-5-4-6-9-17/h7,10-15,17H,2-6,8-9,16H2,1H3,(H,23,24,25).
What are the key properties of 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine?
4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine has a molecular weight of 364.49 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine is sourced from PubChem (CID 143892911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).