methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate

C26H28N4O2 — CID 127035917

IUPACmethyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate
SMILESCOC(=O)CN1CCc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)nc(C)n3)cc21
InChIInChI=1S/C26H28N4O2/c1-17-27-23(20-11-10-19-12-13-30(24(19)14-20)16-26(31)32-2)15-25(28-17)29-22-9-5-7-18-6-3-4-8-21(18)22/h3-4,6,8,10-11,14-15,22H,5,7,9,12-13,16H2,1-2H3,(H,27,28,29)/t22-/m1/s1
InChIKeyLYNPLKZIZPDBCY-JOCHJYFZSA-N
MW428.54 g/mol
LogP4.48
Rot. Bonds5

About methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate

methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate (PubChem CID 127035917) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate
PubChem CID127035917
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Namemethyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate
SMILESCOC(=O)CN1CCc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)nc(C)n3)cc21
InChIInChI=1S/C26H28N4O2/c1-17-27-23(20-11-10-19-12-13-30(24(19)14-20)16-26(31)32-2)15-25(28-17)29-22-9-5-7-18-6-3-4-8-21(18)22/h3-4,6,8,10-11,14-15,22H,5,7,9,12-13,16H2,1-2H3,(H,27,28,29)/t22-/m1/s1
InChIKeyLYNPLKZIZPDBCY-JOCHJYFZSA-N
XLogP4.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate with MolForge

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Related Compounds

2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123793614
2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024314
2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile
CID 127024139
6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123482750
4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile
CID 127034668
6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123894871
6-(3-amino-4-chlorophenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127034672
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 123625262
N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide
CID 123553505
6-[4-chloro-3-(prop-2-ynylamino)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024571
6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123676574
6-(2-chloro-5-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123999726

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate?
The IUPAC name of methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate (CID 127035917) is methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate?
The canonical SMILES for methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate is COC(=O)CN1CCc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)nc(C)n3)cc21.
What is the InChIKey of methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate?
The InChIKey is LYNPLKZIZPDBCY-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-17-27-23(20-11-10-19-12-13-30(24(19)14-20)16-26(31)32-2)15-25(28-17)29-22-9-5-7-18-6-3-4-8-21(18)22/h3-4,6,8,10-11,14-15,22H,5,7,9,12-13,16H2,1-2H3,(H,27,28,29)/t22-/m1/s1.
What are the key properties of methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate?
methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate has a molecular weight of 428.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate is sourced from PubChem (CID 127035917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).