2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile

C23H27N5O — CID 59743489

IUPAC2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile
SMILESCC(C)(O)C1CCC(Nc2nccc(-n3ccc4c(CC#N)cccc43)n2)CC1
InChIInChI=1S/C23H27N5O/c1-23(2,29)17-6-8-18(9-7-17)26-22-25-14-11-21(27-22)28-15-12-19-16(10-13-24)4-3-5-20(19)28/h3-5,11-12,14-15,17-18,29H,6-10H2,1-2H3,(H,25,26,27)
InChIKeyDNTXYFGXSVQYFV-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.23
Rot. Bonds5

About 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile

2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile (PubChem CID 59743489) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile
PubChem CID59743489
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile
SMILESCC(C)(O)C1CCC(Nc2nccc(-n3ccc4c(CC#N)cccc43)n2)CC1
InChIInChI=1S/C23H27N5O/c1-23(2,29)17-6-8-18(9-7-17)26-22-25-14-11-21(27-22)28-15-12-19-16(10-13-24)4-3-5-20(19)28/h3-5,11-12,14-15,17-18,29H,6-10H2,1-2H3,(H,25,26,27)
InChIKeyDNTXYFGXSVQYFV-UHFFFAOYSA-N
XLogP4.23
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile with MolForge

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Related Compounds

4-(cyanomethyl)-1-[2-[[4-(2-sulfinatohydrazinyl)cyclohexyl]amino]pyrimidin-4-yl]indole
CID 123150777
[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane
CID 143687462
4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743509
2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol
CID 89431859
2-[[1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]methyl]isoindole-1,3-dione
CID 59743487
N-[4-[[4-[4-[4-(2-cyanoacetyl)piperazin-1-yl]indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 50943666
N-[4-[[4-[4-(1-cyanoethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 59743416
3-[4-[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]piperazin-1-yl]-3-oxopropanenitrile
CID 50942837
2-[1-[2-[(1-formyl-4-pyrrolidin-1-ylcyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]acetonitrile
CID 89431897
N-[4-[[4-[4-(2-methylsulfonylethoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 59743420
tert-butyl 4-[[4-(4-methoxyindol-1-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 91362323
4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine
CID 143892911

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile?
The IUPAC name of 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile (CID 59743489) is 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile?
The canonical SMILES for 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile is CC(C)(O)C1CCC(Nc2nccc(-n3ccc4c(CC#N)cccc43)n2)CC1.
What is the InChIKey of 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile?
The InChIKey is DNTXYFGXSVQYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-23(2,29)17-6-8-18(9-7-17)26-22-25-14-11-21(27-22)28-15-12-19-16(10-13-24)4-3-5-20(19)28/h3-5,11-12,14-15,17-18,29H,6-10H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile?
2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile has a molecular weight of 389.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]acetonitrile is sourced from PubChem (CID 59743489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).