1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole

C20H26N4 — CID 112876835

IUPAC1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
SMILESCc1nc(N2CCCCCC2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H26N4/c1-15-13-17-9-5-6-10-18(17)24(15)20-14-19(21-16(2)22-20)23-11-7-3-4-8-12-23/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3
InChIKeyYXISRMYJTVNMRE-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.25
Rot. Bonds2

About 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole

1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole (PubChem CID 112876835) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
PubChem CID112876835
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
SMILESCc1nc(N2CCCCCC2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H26N4/c1-15-13-17-9-5-6-10-18(17)24(15)20-14-19(21-16(2)22-20)23-11-7-3-4-8-12-23/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3
InChIKeyYXISRMYJTVNMRE-UHFFFAOYSA-N
XLogP4.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112876617
2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112856161
1-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112877328
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113193343
2-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194954
N-tert-butyl-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109373876
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methanone
CID 109367418
N-(2,4-difluorophenyl)-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112879061
1-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 55080188
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830
2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112923882

Frequently Asked Questions

What is the IUPAC name of 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole (CID 112876835) is 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole is Cc1nc(N2CCCCCC2)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole?
The InChIKey is YXISRMYJTVNMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-15-13-17-9-5-6-10-18(17)24(15)20-14-19(21-16(2)22-20)23-11-7-3-4-8-12-23/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole?
1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole has a molecular weight of 322.46 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 112876835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).