tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate

C24H32N6O2 — CID 90974192

IUPACtert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCN(C)c1cccc2c1ccn2-c1ccnc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C24H32N6O2/c1-24(2,3)32-23(31)29-14-10-17(11-15-29)26-22-25-13-9-21(27-22)30-16-12-18-19(28(4)5)7-6-8-20(18)30/h6-9,12-13,16-17H,10-11,14-15H2,1-5H3,(H,25,26,27)
InChIKeyQIPHMKJBGMKUTB-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.30
Rot. Bonds4

About tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 90974192) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
PubChem CID90974192
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Nametert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCN(C)c1cccc2c1ccn2-c1ccnc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C24H32N6O2/c1-24(2,3)32-23(31)29-14-10-17(11-15-29)26-22-25-13-9-21(27-22)30-16-12-18-19(28(4)5)7-6-8-20(18)30/h6-9,12-13,16-17H,10-11,14-15H2,1-5H3,(H,25,26,27)
InChIKeyQIPHMKJBGMKUTB-UHFFFAOYSA-N
XLogP4.30
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[4-(4-methoxyindol-1-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 91362323
2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide
CID 90961333
N-[1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]-N-methylmethanesulfonamide
CID 59743348
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol
CID 89431859
4-[1-[2-[[4-(methanesulfonamido)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]piperazine-1-carboxamide
CID 50943589
[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane
CID 143687462
(4-hydroxypiperidin-1-yl)-[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
CID 58017084
4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743509
1-ethylpiperazine;(4-ethylpiperazin-1-yl)-[4-[[4-(4-piperazin-1-ylindol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone;1,1,1,4,4,4-hexafluorobutane-2,3-dione;4-[[4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indol-1-yl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid;molecular iodine;triiodide;hydroiodide
CID 162231195
tert-butyl 4-[[4-[[(3S,3aR,6S,6aR)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 126646203
tert-butyl (3S)-3-[(4-chloropyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71629236

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate (CID 90974192) is tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate is CN(C)c1cccc2c1ccn2-c1ccnc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is QIPHMKJBGMKUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-24(2,3)32-23(31)29-14-10-17(11-15-29)26-22-25-13-9-21(27-22)30-16-12-18-19(28(4)5)7-6-8-20(18)30/h6-9,12-13,16-17H,10-11,14-15H2,1-5H3,(H,25,26,27).
What are the key properties of tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 90974192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).