3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine

C26H30N6O2 — CID 158725556

IUPAC3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCC1=Cc2cc(Oc3nc(Nc4cc(C5CCC5)no4)cc(N4CCN(C)CC4)n3)ccc2C1
InChIInChI=1S/C26H30N6O2/c1-17-12-19-6-7-21(14-20(19)13-17)33-26-28-23(16-24(29-26)32-10-8-31(2)9-11-32)27-25-15-22(30-34-25)18-4-3-5-18/h6-7,13-16,18H,3-5,8-12H2,1-2H3,(H,27,28,29)
InChIKeyKGKBLGFNTBAUJZ-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.98
Rot. Bonds6

About 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine

3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (PubChem CID 158725556) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
PubChem CID158725556
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCC1=Cc2cc(Oc3nc(Nc4cc(C5CCC5)no4)cc(N4CCN(C)CC4)n3)ccc2C1
InChIInChI=1S/C26H30N6O2/c1-17-12-19-6-7-21(14-20(19)13-17)33-26-28-23(16-24(29-26)32-10-8-31(2)9-11-32)27-25-15-22(30-34-25)18-4-3-5-18/h6-7,13-16,18H,3-5,8-12H2,1-2H3,(H,27,28,29)
InChIKeyKGKBLGFNTBAUJZ-UHFFFAOYSA-N
XLogP4.98
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine with MolForge

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Related Compounds

3-cyclopropyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 159353891
2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 161189514
3-cyclopropyl-N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 90147477
3-methyl-N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 90431473
N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 159739868
N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 90147519
N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 157329954
N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-ethyl-1,2-oxazol-5-amine
CID 160548406
2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 157447284
5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 158476722
N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-propan-2-yl-1,2-oxazol-5-amine
CID 90431530
5-bromo-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 159281672

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (CID 158725556) is 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine is CC1=Cc2cc(Oc3nc(Nc4cc(C5CCC5)no4)cc(N4CCN(C)CC4)n3)ccc2C1.
What is the InChIKey of 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The InChIKey is KGKBLGFNTBAUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-17-12-19-6-7-21(14-20(19)13-17)33-26-28-23(16-24(29-26)32-10-8-31(2)9-11-32)27-25-15-22(30-34-25)18-4-3-5-18/h6-7,13-16,18H,3-5,8-12H2,1-2H3,(H,27,28,29).
What are the key properties of 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine has a molecular weight of 458.57 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 158725556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).